﻿OlexID	English	French	Arabic	Russian	Japanese	German	Spanish	Chinese	Greek
ISO8859-1	ISO8859-1	ISO8859-1	ISO8859-6	CP-1251	ISO8859-1	ISO8859-2	ISO8859-1	GB2312	ISO8859-7
Reset	Reset	Reset	اعادة تعيين	Сбросить	リセット	Zurücksetzten	Restablecer	重置	Επαναφορα
Solve PATT	Solve PATT	Y&#39;a ton Solve	حل patt	Решите PATT	解決patt	Mit PATT lösen	Resolver PATT	帕特森法	Λυσει PATT
Solve TREF	Solve TREF	Résoudre TREF	حل tref	Решите TREF	不浄な解決	Mit TREF lösen	Resolver TREF	直接法	Λυσει TREF
EXPERIMENTAL	EXPERIMENTAL	EXPERIMENTAL	تجريبى	ЭКСПЕРИМЕНТАЛЬНАЯ	実験的な	EXPERIMENTELL	Experimental	实验部分	ΔΟΚΙΜΑΣΤΙΚΗ
Open Existing Structure	Open Existing Structure	Ouvert structure existante	فتح الهيكل القائم	Открыть существующую структуру	既存の構造を開く	Struktur öffnen	Abierto estructura existente	打开已有结构	Ανοιγμα υπαρχουσας δομης
Tutorials	Tutorials	Didacticiels	دروس خصوصيه	Обучение	チュートリアル	Tutorials	Tutoriales	教程	Tutorials
coming soon	coming soon	Coming soon	قريبا	скоро	近日開始	kommt bald	Disponible en breve	即将推出	ερχονται συντομα
News	News	News	ﮓﮓﯽﴼﭻ	новости	ㆋㆈ㈈スグゲッヅ	Was ist Neu?	Noticias	新闻	Τα Νεα
toolbox-work	toolbox-work	Boîte à outils de travail	أدوات العمل -	Инструментарий работы	道具箱-仕事	Werkzeugkiste	Caja de herramientas de trabajo	工具箱－工作	εργαλειοθηκη εργασιων -
English	English	Anglais	الانجليزيه	Английский	英語	Englisch	Inglés	英语	Αγγλικα
German	German	Allemand	الالماني	Немецкий	ドイツ語	Deutsch	Alemán	德语	Γερμανικα
Compile Date	Compile Date	Compile Date	تجميع التاريخ	Обобщение Дата	コンパイル日付	Version vom	Fecha de Compilación	编译日期	Συμπληρωστε Ημερομηνια
Settings	Settings	Réglages	اعدادات	параметры	設定	Einstellungen	Ajustes	设置	Ρυθμισεις
Tooltips	Tooltips	Infobulles	تلميحات الادوات	Подсказки	ツールのヒント	Werkzeughilfe	Tooltip	工具提示	Εργαλειων
Help	Help	Aide	مساعدة	Помощь	ヘルプ	Hilfe	Ayuda	帮助	Βοηθεια
Info	Info	Info	معلومات	Инфо	情報	info	Información	信息	info
GUI Font Size	GUI Font Size	GUI taille de la police	GUI حجم الخط	GUI размер шрифта	GUIのフォントの大きさ	Schriftgrösse	GUI tamaño de la letra	GUI字体大小	GUI μεγεθος γραμματων
Swap Backgrounds	Swap Backgrounds	Swap Backgrounds	مقايضه الخلفيات	Поменять обои	スワップ背景	Hintergrund wechseln	Swap Fondos	背景转换	Swap Backgrounds
Swap Control Panel	Swap Control Panel	Swap Control Panel	مقايضه لوحة التحكم	Съемные панели управления	コントロールパネルのスワップ	Kontrollfeld auf andere Seite	Swap panel de control	控制面板转换	Swap Control Panel
Lines of Text	Lines of Text	Lignes de texte	خطوط النص	Строки текста	行のテキスト	Zeilenzahl	Líneas de Texto	文本显示行数	Γραμμες Κειμενο
All	All	Tous	كل	Все	すべて	Alle	Todos	所有	Ολα
Narrow	Narrow	Narrow	ضيق	Узких	狭い	Eng	Narrow	窄型	Στενο
Wide	Wide	Wide	واسعة	Широкий	ワイド	Weit	Wide	宽型	Wide
default	Default	Default	التقصير	По умолчанию	デフォルト	Default	Default	缺省	Προεπιλογη
recent files	Recent Files	Fichiers récents	الاخيرة ملفات	последние файлы	最近のファイル	Aktuelle Strukturen	Archivos recientes	最近使用文件	προσφατα αρχεια
Off	Off	Off	من	Выкл	オフ	Aus	Off	关	Off
On	On	Sur	علي	В	上	An	El	开	Στις
Small	Small	Petits	صغير	Малых	小	Klein	Pequeño	小	Μικρες
Medium	Medium	Médium	متوسط	Среднесрочной	メディア	Mittel	Mediano	中	Μεσαιο
Large	Large	Large	كبير	Крупных	大規模な	Gross	Grande	大	Μεγαλα
Panel Width	Panel Width	Panel Largeur	الفريق العرض	Группа Ширина	パネルの幅	Kontrollfeldgrösse	Grupo Ancho	面板宽度	Πλατος Panel
history	History	Histoire	التاريخ	история	歴史	Verlauf	Historia	历史	ιστορια
solve	Solve	Résoudre	حل	решить	解決する	Lösen	Resolver	解析	λυσει
Solving	Solving	Solving ...	حل...	Решение ...	解決へ...	Lösen	La solución de ...	解析中	Επιλυση ...
model	Model	Modèle	نموذج	модель	モデル	Strukturmodell	modelo	模型	μοντελο
select	Select	Sélectionnez	اختر	выбрать	選択して	Atome Anwählen	Seleccionar	选择	επιλεξτε
naming	Naming	Naming	التسميه	именования	命名	Atome Umbenennen	Nombres	命名	ονοματοδοσια
quick drawing styles	Quick Drawing Styles	Rapide des styles de dessin	رسم اساليب سريعه	быстрый рисунок стили	クイック描画スタイル	Darstellungsart	Estilos de dibujo rápido	快速绘图模式	γρηγορη επεξεργασια στυλ
symmetry generation	Symmetry Generation	Symétrie génération	التناظر جيل	симметрии поколения	対称世代	Symmetie	Simetría generación	对称性操作	συμμετρια γενιας
Show	Show	Afficher	عرض	шоу	表示する	Anzeigen	Mostrar	显示	σηος
geometry	Geometry	Géométrie	الهندسه	геометрия	幾何学	Geometrie	Geometría	几何	γεωμετρια
Rotate	Rotate	Rotation	در	вращаться	回転する	Rotation	rotar	旋转	περιστρεψτε
tools	Tools	Outils	أدوات	инструменты	ツール	extra	Herramientas	工具	εργαλεια
disorder	Disorder	Trouble	الفوضى	беспорядок	障害	Fehlordnung	Desorden	无序	διαταραχη
images	Images	Images	صور	изображения	画像	Bilder	Imágenes	图像	εικονες
overlay	Overlay	Superposition	الغطاء	Наложение	オーバーレイ	überlagerung	Superposición	覆盖	υπερθεση
crystal	Crystal	Crystal	الكريستال	кристалл	水晶	Kristall	Crystal	晶体	crystal
space groups	Space Groups	Espace groupes	الفضاء المجموعات	пространства групп	宇宙グループ	Raumgruppen	Grupos Espaciales	空间群	χωρο ομαδες
q peaks	Q-Peaks	Q sommets	ف الأعالي	q пиков	問ピークス	Elektronenrestdichte	Q picos	Q峰	q κορυφες
refinement indicators	Refinement Indicators	Affinement des indicateurs	صقل المؤشرات	уточнение показателей	洗練指標	Verfeinerung	Perfeccionamiento de los indicadores	精修指标	τελειοποιηση των δεικτων
Bad Reflections	Bad Reflections	Mauvaise réflexions	انعكاسات سيئة	плохие размышления	悪い反省	Schlechte Reflexe	Mala reflexiones	不好的衍射点	κακες σκεψεις
diagnostics	Diagnostics	Diagnostic	علم تشخيص الامراض	диагностика	診断	Diagnostik	Diagnósticos	诊断	διαγνωστικης
Language	Language	Langue	اللغة	Language	言語	Sprache	Idioma	语言	Γλωσσα
More	More	Plus	أكثر	Более	こちら	Mehr	Más	更多	Περισσοτερα
Click	Click	Cliquez	انقر	Щелкните	クリック	Klicken	Haga clic en	点击	Καντε κλικ
to browse	To Browse	Pour parcourir	لتصفح	Для просмотра	を参照	Durchsehen	Para navegar	浏览	για να περιηγηθειτε
to select	To Select	Pour sélectionner	إختيار	выбрать	を選択する	Auswählen	Para seleccionar	选择	για να επιλεξετε
Adjust Weight	Adjust Weight	Ajuster le poids	ضبط الوزن	Отрегулируйте Вес	体重調整	Gewichtung	Ajuste Peso	调整权重	Ρυθμιζεται Βαρος
Fix	Fix	Fix	فيكس	Фикс	フィックス	Fix Selektierte	Fix	固定	Fix
Free Selected	Free Selected	Free sélectionnés	حرة مختارة	Бесплатные Отобрано	自由な選択	Befreien	Libre Selección	自由选择	Δωρεαν Επιλεγμενα
Selected	Selected	Sélectionnez	المختاره	Отобрано	選択した	Selektierte	Seleccionado	选择	Επιλεγμενα
Edit	Edit	Modifier	تحرير	Изменить	編集	Bearbeiten	Editar	编辑	Επεξεργασια
refine	Refine	Affiner	صقل	Уточнить	絞り込み	Verfeinern	Refinar	精修	Περιοριστε
Refining	Refining	Affinage ...	صقل...	Переработка	精製...	Verfeinern	Refinación	精修中	Διυλισης ...
Exclusive	Exclusive	Exclusif	حصري	Только	排他的な	Exklusiv	Exclusivo	选择特定元素	Exclusive
Additive	Additive	Additive	المواد المضافه	Дополнить	添加物	Additiv	Aditivo	增加选择	.
Invert Selection	Invert Selection	Inverser la sélection	الاختيار المقلوب	Инвертировать выделение	逆選択	Selektion invertieren	Invertir selección	反选	Αντιστροφη Επιλογης
Deselect All	Deselect All	Désélectionner tout	ارفض جميع	Отменить Все	すべての選択を解除	Alle Unselektieren	Desmarque Todos	取消所有选择	Ολα αναιρεσετε
Delete Selected	Delete Selected	Supprimer la sélection	أحذف المختار	Удалить выбранное	選択した項目を削除	Selektierte Löschen	Eliminar seleccionados	删除已选	Διαγραφη Επιλεγμενων
Select atoms where	Select atoms where	Sélectionnez où les atomes	اختر ذرات فيها	Выберите атомы, где	どこを選択して原子	Atome anwählen wo	Seleccione donde los átomos	选择原子	Επιλεξτε ατομα οπου
Click here to reset the history	Click here to reset the history	Cliquez ici pour réinitialiser l'historique	اضغط هنا لإعادة التاريخ	Нажмите сюда, чтобы сбросить истории	ここをクリックして履歴をリセットする	Hier klicken, um den Verlauf zurückzusetzen	Haga clic aquí para restablecer la historia	点击这里重置历史	Καντε κλικ εδω για να επαναφερετε την ιστορια
Model:	Model:	Modèle:	نموذج :	Модель:	モデル：	Modell:	Modelo:	模型:	Μοντελο:
Label:	Label:	Label:	علامة :	Лейбл:	ラベル：	Label:	Label:	标签:	Label:
Atom:	Atom:	Atom:	الذرة :	Атом:	原子：	Atom:	Atom:	原子:	Atom:
Clear History	Clear History	Effacer l'historique	التاريخ واضح	Очистить	履歴のクリア	Verlauf löschen	Borrar historial	清空历史	Καθαρισμος ιστορικου
Directory	Directory	Répertoire	دليل	Справочник	ディレクトリ	Ordner	Directorio	目录	Directory
Edit File	Edit File	Edit File	افتح الملف	Редактирование файлов	ファイルを編集する	Editieren	Editar Archivo	编辑文件	Επεξεργασια αρχειου
Balls & Sticks	Balls & Sticks	Balls & Sticks	كرات & العصي	Мячи и Палочки	ボール＆スティック	Kugeln & Stäbe	Balls & Sticks	球棍模型	Μπαλες & Sticks
Ellipsoids	Ellipsoids	Ellipsoïdes	مجسمات القطع الناقص	Эллипсоидов	ellipsoids	Ellipsoide	Elipsoides	椭球模型	Ελλειψοειδη
Wire Frame	Wire Frame	Wire Frame	سلك الاطار	Проволока Рамка	.	Drahtmodell	Wire Frame	线框模式	Frame Wire
Bond Style	Bond Style	Bond Style	النمط بوند	Бонд Стиль	ボンドのスタイル	Bindungsstil	Estilo Bond	键的显示模式	Bond Style
Sphere Packing	Sphere Packing	Sphère d'emballage	مجال التعبءه	Сфера Упаковка	球パッキング	Kugeln	Esfera de embalaje	球形堆积	Σφαιρα Συσκευασια
move near	Move Near	Déplacer proche	التحرك القريب	Поместить рядом	近くに移動する	Verschieben	Mover cerca	移动至	Μετακινηση κοντα
Copy Near	Copy Near	Près de copie	نسخة القريب	Скопируйте Рядом	近くにコピー	Kopieren	Copiar Próximo	复制至	Αντιγραφη Κοντα
Mode Grow	Grow	Grow	انم	Расти	成長	Vervollständigen	Crezca	模型生长	Μεγαλωσουν
Center on cell	Center on Cell	Center on Cell	مركز الخليوي	Центр по клеточной	センターにして細胞	Zellzentrierung	Centro de Cell	以晶胞为中心	Κεντρο Cell
Center on Largest Fragment	on largest fragment	Le plus gros fragment	على اكبر جزء	по величине фрагмент	上最大規模の断片	auf das grösste Fragment	El fragmento más grande	以最大片段为中心	για μεγαλυτερο κατακερματισουν
Basis	Basis	Base	اساس	Основе	.	Basis	Base	晶轴方向	Βαση
Grow All	Grow All	Tous Grow	تنمو جميع	Растите Все	すべて育つ	Alles Vervollständigen	Todos crecen	全部生长	Ολα τα μεγαλωσουν
Quality	Quality	Qualité	النوعيه	Качество	素晴らしい	Qualität	Calidad	质量	Ποιοτητα
Cell	Cell	Cell	خليه	Ячейка	セル	Zelle	Cell	晶胞	Κελι
Coordinate System	Coordinate System	Système de coordonnées	النظام الاحداثي	Система координат	座標	Koordinatensystem	Sistema de Coordenadas	坐标系统	Coordinate System
Hydrogen Atoms	Hydrogen Atoms	Les atomes d'hydrogène	ذرات الهيدروجين	Атом водорода	水素原子	Wasserstoffatome	Átomos de Hidrógeno	氢原子	Τα ατομα του υδρογονου
Occupancies	Occupancies	Occupations	الاشغال	Occupancies	occupancies	Occupancies	Ocupaciones	占有率	Occupancies
Mean Plane	Mean Plane	Mean Plane	يعني الطائرة	Средняя плоскость	平均平面	Beste Ebene	La media de avión	平均平面	Σημαινει Plane
Best Line	Best Line	Best Line	افضل خط	Лучшая линия	ベストライン	Beste Gerade	Mejor Línea	最佳连线	Best Line
of active selection	of active selection	De la sélection active	الاختيار للالنشطه	активного отбора	の積極的な選択	der aktiven Selektion	De la selección activa	在激活的选择之间	επιλογη των ενεργων
Align along	Align along	Aligner le long	محاذاه على طول	Выровнять вдоль	揃えに沿って	Ausrichten an	Alinear a lo largo de	排列方向	Συντασσονται μαζι
Current File	Current File	Dossier actuel	الملف الحالي	Текущая файла	現在のファイル	Aktive Struktur	Actualidad Archivo	当前文件	Current File
Current Directory	Current Directory	Répertoire actuel	الدليل الحالي	Текущий каталог	カレントディレクトリ	Aktiver Ordner	Directorio actual	当前目录	Τρεχοντα Directory
Start	Start	Début	البداية	Начать	開始	Start	Inicio	开始	Ξεκινηστε
Suffix	Suffix	Suffixe	اللاحقه	Суффикс	サフィックス	Suffix	Sufijo	后缀	Επιθημα
Type	Type	Type	النوع	Тип	タイプ	Typ	Tipo	类型	Τυπος
Thank you all for your support and valuable suggestions during the last months. We have implemented many new features and fixed some problems that have been reported.	Thank you all for your support and valuable suggestions during the last months. We have implemented many new features and fixed some problems that have been reported.	Merci à tous pour votre soutien et précieuses suggestions au cours des derniers mois. Nous avons mis en place beaucoup de nouvelles fonctions et fixe certains problèmes qui ont été signalés.	شكرا لكم جميعا لدعمكم والاقتراحات القيمه خلال الاشهر الماضية. قمنا بتنفيذ العديد من الميزات الجديدة والثابتة بعض المشاكل التي يبلغ عنها.	Благодарю вас всех за вашу поддержку и ценные предложения, в течение последних месяцев. Мы реализовали множество новых функций и установил, что некоторые проблемы не поступало.	Thank you all for your support and valuable suggestions during the last months. We have implemented many new features and fixed some problems that have been reported.	Vielen Dank an alle, die uns mit ihrer Unterstützung und Feedback in den letzten Monaten geholfen haben. Viele neuen Ideen sind bereits in Olex2 eingebaut, an anderen arbeiten wir gerade aktiv.	Gracias a todos por su apoyo y valiosas sugerencias durante los últimos meses. Hemos implementado muchas características nuevas y fija algunos problemas que han sido reportados.	感谢您最近几个月的支持和给予的宝贵建议。我们增加了许多新性能并解决了一些存在的问题。	Σας ευχαριστω ολους για την υποστηριξη σας και πολυτιμες προτασεις κατα τη διαρκεια των τελευταιων μηνων. Εχουμε εφαρμοσει πολλα νεα χαρακτηριστικα και σταθερης ορισμενα προβληματα που εχουν αναφερθει.
CHN Analysis	CHN Analysis	Analyse CHN	تحليل CHN	Анализ CHN	可分析	CHN Analyse	Análisis CHN	元素分析	CHN Αναλυση
Molecular Isotope Pattern	Molecular Isotope Pattern	Molecular Pattern isotope	الجزيءيه النظائر المشعه نمط	Молекулярная структура изотопов	分子同位体パターン	Molekulares Isotpenmuster	Molecular patrón de isótopos	分子同位素图	Μοριακης ισοτοπο Pattern
Molecular Volume	Molecular Volume	Volume moléculaire	حجم الجزيءيه	Молекулярная Том	モル体積	Molekularvolumen	Tomo Molecular	分子体积	Μοριακης τομος
Volume of Polyhedron around Selected Atom	Volume of Polyhedron around Selected Atom	Volume de Polyhedron autour Selected Atom	حجم الشكل المتعدد السطوح مختارة حول الذرة	Объем полиэдра вокруг Отобрано Атом	ボリュームを選択した原子の周りの多面体	Volumen des Polyheders um das selektierte Atom	Polyhedron volumen de alrededor de Selección de Atom	已选原子周围多面体体积	Ογκος των Polyhedron κοντα Επιλεγμενες Atom
Save Display as	Save Display as	Enregistrer comme Display	كما عرض انقاذ	Сохранить Показать, как	ディスプレイとして保存	Darstellung als Bild speichern	Mostrar Guardar como	保存显示为	Προβολη Αποθηκευση ως
Solution Browser	Solution Browser	Solution Browser	الحل متصفح	Решение Обозреватель	ブラウザの解決策	Weitere Strukturlösungen durchsehen	Solución Browser	解析结果浏览器	Λυση Browser
Growing Mode	Growing Mode	Grandir Mode	تزايد اسطة	Рост режим	成長モード	Vervollständigungsmodus	Modo de Crecimiento	生长模式	Μεγαλυτερα Mode
Under Tools > Hydrogen Atoms there is now a tool that will place all hydrogen atoms geometrically. This is currently under testing, please let us know about cases where it fails!	Under Tools > Hydrogen Atoms there is now a tool that will place all hydrogen atoms geometrically. This is currently under testing, please let us know about cases where it fails!	Sous Outils> L'atome d'hydrogène, il est désormais un outil qui aura lieu tous les atomes d'hydrogène géométrique. Cela fait actuellement l'objet d'essais, s’il vous plaît nous faire connaître les cas où il échoue!	تحت ادوات> ذرات الهيدروجين وهناك الآن اداة من شأنها ان تضع جميع ذرات الهيدروجين هندسي. هذا ويجرى حاليا اختبار ، يرجى اعلامنا عن الحالات اذا اخفق!	В меню Сервис> атомов водорода в настоящее время инструмент, который будет поставить все атомы водорода в геометрической прогрессии. Это настоящее испытание, пожалуйста, дайте нам знать о тех случаях, когда оно не!	Under Tools > Hydrogen Atoms there is now a tool that will place all hydrogen atoms geometrically.下には、現在のところ、このテストでは、お気軽にお問い合わせについて知ることが失敗したケース！	Unter Tools>Wasserstoffatome gibt es nun die Möglichkeit, Wasserstoffatome geometrisch hinzuzufügen.	Bajo Herramientas> Los átomos de hidrógeno existe en la actualidad una herramienta que pondrá todos los átomos de hidrógeno geométricamente. Este se encuentra actualmente en pruebas, por favor, háganoslo saber acerca de los casos en los que no!	在工具〉氢原子。 现在有一个工具可以几何上安置所有氢原子。这当前是在测试之中, 如果出现问题请告诉我们!	Υπο Εργαλεια> Ατομου Υδρογονου υπαρχει τωρα ενα εργαλειο που θα τοποθετησει ολα τα ατομα υδρογονου γεωμετρικα. Αυτη τη στιγμη ειναι υπο ελεγχο, παρακαλουμε να μας ενημερωσετε για τις περιπτωσεις οπου αποτυγχανει!
Add Hydrogen	Add Hydrogen	Ajouter Hydrogène	اضافة الهيدروجين	Добавить Водород	.	Wasserstoffatome Hinzufügen	Añadir Hidrógeno	加氢	Προσθηκη Υδρογονο
Refine & Tidy	Refine & Tidy	Affiner & Tidy	صقل & مرتبة	Уточнить и экологию Балтики	＆ Tidyの絞り込み	Verfeinern und Aufräumen	Refinar & Tidy	精修和清理	Περιοριστε & Tidy
Overlay Structure	Overlay Structure	Superposition Structure	تراكب هيكل	Наложение Структура	.	Struktur Überlagern	Superposición de estructura	覆盖结构	Υπερθεση Δομη
Mode Match	Mode Match	Mode Match	طريقة المباراة	Режим матча	マッチモード	Strukturerkennungsmodus	Modo Match	匹配模式	Match Mode
Remove Overlay	Remove Overlay	Retirer Overlay	إزالة الغطاء	Удалить Наложение	オーバーレイを削除する	Überlagerung entfenen	Eliminar Superposición	移除覆盖	Αφαιρεση Overlay
This feature is not yet available	This feature is not yet available	Cette fonctionnalité n'est pas encore disponible	هذه الميزه ليست متاحة بعد	Эта функция пока не доступна	この機能はまだ利用可能	Diese Funktion ist noch nicht verfügbar.	Esta función todavía no está disponible	此项功能尚未提供	Αυτη η δυνατοτητα δεν ειναι ακομα διαθεσιμες
colour	Colour	Couleur	اللون	Цвет	色	Farbe	Color	颜色	Χρωμα
Size	Size	Taille	الحجم	Размер	サイズ	Grösse	Tamaño	大小	Μεγεθος
Shape	Shape	Shape	الشكل	Форма	形状	Form	Forma	形状	Σχημα
Centrosymmetric	Centrosymmetric	Centrosymmetric	Centrosymmetric	Centrosymmetric	中心対称の	Zentrosymmetrisch	Centrosymmetric	中心对称的	Centrosymmetric
Non-Centroszmmetric	Non-Centroszmmetric	Non-Centrosymmetric	غير centroszmmetric	Неприсоединения Centroszmmetric	非centroszmmetric	Nicht Zentrosymmetrisch	No Centroszmmetric	非中心对称的	Μη Centroszmmetric
Rotation around Axis	Rotation around Axis	Rotation autour de l'axe	استداره حول محور	Вращение вокруг оси	自転軸の周り	Rotation um Achse	La rotación alrededor de eje	绕轴旋转	Περιστροφης γυρω απο τον αξονα
Number of frames	Number of Frames	Nombre de frames	عدد الاطر	Количество фреймов	フレーム数	Anzahl der Frames	Número de Marcos	帧数	Αριθμος Frames
Degree	Degree	Degré	درجة	Степени	度	Grad	Grado	度	Βαθμος
Please Wait...	Please Wait...	Attendez S’il vous plaît ...	يرجى الانتظار...	Подождите ...	お待ちください...	Bitte haben sie etwas Geduld...	Por favor, espere ...	请稍侯…	Παρακαλω περιμενετε ...
Edit Reflections	Edit Reflections	Modifier Réflexions	تحرير تأملات	Изменить Размышления	編集反射	Reflexe Editieren	Editar Reflexiones	编辑衍射点	Επεξεργασια Σκεψεις
Distance and Angles	Distance and Angles	Distance et Angles	المسافة وانج	Расстояние и углы	距離と角度	Abstand und Winkel	Distancia y ángulos	距离和角度	Αποσταση και Γωνιες
of two/three selected atoms	of two/three selected atoms	De deux / trois atomes sélectionnés	أثنين / ثلاثة ذرات مختارة	два / три отдельных атомов	2 / 3選択した原子	von zwei oder drei angewählten atomen	De dos o tres átomos seleccionados	两个或三个已选原子	δυο / τρια επιλεγμενα ατομα
We are currently preparing Olex2 for a Linux and MacOS release. It is necessary to change the underlying directory structure. This should hopefully work smoothly, but you might notice some unexpected	We are currently preparing Olex2 for a Linux and MacOS release. It is necessary to change the underlying directory structure. This should hopefully work smoothly, but you might notice some unexpected effects...	Nous préparons actuellement Olex2 pour Linux et MacOS libération. Il est nécessaire de changer la structure des répertoires sous-jacents. Cela devrait, espérons-le travail en douceur, mais vous avez peut-être remarqué certains effets inattendus ...	ونحن في صدد التحضير لolex2 لينكس وMacOS الافراج. ومن الضروري تغيير الكامنة دليل الهيكل. هذا على أمل ان يعمل بسلاسه ، لكنك قد تلاحظ بعض آثار غير متوقعة...	В настоящее время мы готовим Olex2 на Линукс и MacOS-релиз. Необходимо изменить структуру каталога, лежащие. Это следует надеяться работу гладко, но вы, наверное, заметили некоторые неожиданные эффекты ...	olex2の準備のため、現在のところ我々は、 LinuxとMacOSのリリースです。 It is necessary to change the underlying directory structure.願わくはこの仕事はスムーズには、いくつかの注意予期せぬ影響かもしれませんが...	Eine Linux und MacOS Version von Olex2 ist in Vorzubereiten. Die Orderstruktur muss dazu neu gestaltet werden. Theoretisch sollte alles glatt laufen. Man kann allerdings nie wissen...	En la actualidad estamos preparando para un Olex2 Linux y MacOS liberación. Es necesario cambiar la estructura de directorios subyacentes. Cabe esperar que el trabajo sin problemas, pero te darás algunos efectos inesperados ...	我们当前Olex2 为Linux 和MacOS 发行做准备。这是有必要改变目录结构。这应该会顺利地运作, 但您也许注意会到一些意想不到的影响..	Ειμαστε σημερα Olex2 προετοιμασια για το Linux και MacOS ελευθερωσης. Ειναι απαραιτητο να αλλαξει η βασικη δομη. Αυτο ελπιζουμε οτι θα πρεπει να συνεργαστουν απροσκοπτα, αλλα μπορειτε να παρατηρησετε καποιες απροβλεπτες συνεπειες ...
Reset and Solve the Structure	Reset and Solve the Structure	Réinitialiser la structure et Solve	اعادة ضبط ويحل هيكل	Сброс и решить Структура	構造体をリセットすると解決する	Struktur zurücksetzen und neu lösen	Restablecer Resolver y la Estructura	重置并解析结构	Μηδενισμος και Solve, το Δομη
Refine the Structure with ShelXL	Refine the Structure with ShelXL	Affiner la Structure avec ShelXL	تحسين هيكل مع shelxl	Уточните структуры с ShelXL	絞り込みの構造をしてshelxl	Struktur mit ShelXL verfeinern	Refinar la Estructura con ShelXL	用ShelXL精修结构	Περιοριστε την Δομη με ShelXL
Convert all Q-peaks to C	Convert all Q-peaks to C	Convertir tous les sommets de Q-C	تحويل جميع س - ج الى الاعالي	Конвертировать все Q-пики-С	すべての問にピークをCに変換する	Alle Elektronendichte Peaks in C umwandeln	Convertir todos los picos a Q-C	将所有Q峰标为C	Μετατρεψτε ολες τις κορυφες στην Q-C
Tidy the Structure automatically	Tidy the Structure automatically	Tidy automatiquement la structure	مرتبة هيكل تلقائيا	Тиди структуры автоматически	Tidyの構造を自動的	Struktur Aufräumen	Tidy la Estructura automáticamente	自动整理结构	Δομη αυτοματα το Tidy
Make all atoms anisotropic	Make all atoms anisotropic	Faites tous les atomes anisotropes	جعل جميع ذرات متباين الخواص	Сделать все атомы анизотропных	すべての原子を作る異方性	Alle Atome anisotrop machen	Hacer todos los átomos anisotrópica	所有原子各向异性	Καντε ολα τα ατομα ανισοτροπα
Make all atoms isotropic	Make all atoms isotropic	Faites tous les atomes isotrope	جعل جميع ذرات موحد الخواص	Сделать все атомы изотропной	等方性のすべての原子を作る	Alle Atome isotrop machen	Hacer todos los átomos isotrópica	所有原子各向同性	Καντε ολα τα ατομα isotropic
Switch atom labels on	Switch atom labels on	Switch atome étiquettes sur	علامات على التحول ذرة	Переход атома этикетки	原子スイッチ上のラベル	Atomnamen zeigen	Switch átomo etiquetas de los	显示原子标签	Switch atom στις ετικετες
Show occupancies of atoms	Show occupancies of atoms	Afficher les occupations d'atomes	عرض الاشغال الذرات	Показать occupancies атомов	ショーoccupancies原子	Besetzungsfaktoren zeigen	Mostrar ocupaciones de los átomos	显示原子占有率	Παρουσιαση των ατομων occupancies
Show PART of atoms	Show PART of atoms	Afficher PARTIE d'atomes	عرض جزء من ذرات	Показать ЧАСТЬ атомов	ショーの部分は、原子	PART für Atome zeigen	Mostrar parte de los átomos	显示原子PART	Παρουσιαση των ατομων ΜΕΡΟΣ
Show FVAR of atoms	Show FVAR of atoms	.	.	.	.	FVAR für Atome zeigen	.	显示原子FVAR	.
Toggle Q-peaks ON > ON with bonds > OFF	Toggle Q-peaks ON > ON with bonds > OFF	.	.	.	.	Q-Peaks AN > An mit Bindungen > AUS	.	切换Q峰显示/键连/隐藏模式	.
Atoms clicked after clicking this button will be made into	Atoms clicked after clicking this button will be made into	Atomes cliqué après avoir cliqué sur le bouton ci-dessous seront prises en	الذرات بالضغط وبعد النقر على هذا الزر وسوف تقدم الى	Атомы нажали после нажатия этой кнопки будет достигнут в	原子をクリックされる前にこのボタンをクリックした後に	Atome, die anschliessend geklickt werden umwandeln in	Átomos clic después de hacer clic en este botón se harán en	点击此按钮后选定的原子将被定为	Ατομα πατηθει μετα κλικ σε αυτο το κουμπι, θα γινει σε
Atoms clicked after clicking this button will get HFIX	Atoms clicked after clicking this button will get HFIX	Atomes cliqué après avoir cliqué sur ce bouton pour obtenir HFIX	الذرات بالضغط وبعد النقر على هذا الزر سيحصل hfix	Атомы нажали после нажатия этой кнопки будет получить HFIX	このボタンをクリックした後は、原子をクリックして取得するhfix	Atome, die anschliessend geklickt bekommen AFIX	Átomos clic después de hacer clic en este botón se abrirá HFIX	点击此按钮后选定的原子被加上HFIX	Ατομα πατηθει μετα κλικ σε αυτο το κουμπι, θα λαβετε HFIX
Open	Open	Ouvert	مفتوح	Открыть	オープン	Öffnen	Abierto	打开	Ανοιγμα
Updating	Updating	Actualisation	تحديث	Обновление	更新中	Erneuern	Actualización	更新	Ενημερωνοντας
Creating	Creating	Créer	خلق	Создание	作成	Erstelle	Creación	创建中	Δημιουργος
Create Structure Report	Create Structure Report	Créer la structure de rapport	خلق هيكل التقرير	Создать структуру доклада	.	Strukturbericht erstellen	Crear la estructura de informe	创建结构报告	Δημιουργηστε τη δομη της εκθεσης
Create Tables	Create Tables	Créer des tableaux	انشاء الجداول	Создать Таблицы	テーブルを作成する	Tabellen erstellen	Crear Tablas	创建表格	Δημιουργηστε πινακες
Create Summary in HTML format	Create Summary in HTML format	Créer Résumé en format HTML	خلق لغة تأشير النص الفائق في شكل موجز	Создать резюме в HTML формате	HTML形式の要約を作成する	Kurzbericht im HTML Format erstellen	Crear Resumen en formato HTML	创建HTML格式的概要	Δημιουργηστε Περιληψη σε μορφη HTML
Create Summary Page	Create Summary Page	Créer page de résumé	إنشاء صفحة خلاصة	Создать резюме страницу	概要ページを作成する	Zusammenfassung erstellen	Crear página de resumen	创建概要页	Δημιουργηστε περιληπτικη σελιδα
Shows the information extracted from files	Shows the information extracted from files	Montre les informations extraites des fichiers	وتبين المعلومات المستقاه من ملفات	Отображает информацию, взятую из файлов	表示される情報から抽出したファイル	Zeige die Informationen, die in den Dateien gefunden wurden	Muestra la información de los archivos	显示从文件中提出的信息	Εμφανιζει τις πληροφοριες που εχουν εξαχθει απο τα αρχεια
Background	Background	Contexte	الخلفية	Справочная информация	背景	Hintergrund	Antecedentes	背景	Ιστορικο
Panel	Panel	Panel	اللجنة	Группа	パネル	Feld	Grupo	面板	Panel
Diffraction	Diffraction	Diffraction	الانحراف	Дифракция	回折	Brechung	Difracción	衍射实验	Diffraction
Image	Image	Image	صورة	Изображение	画像	Illustration	Imagen	图片	Image
Publication	Publication	Publication	نشر	Публикации	出版物	Veröffentlichung	Publicación	发表文献	Δημοσιευση
Progress	Progress	Progrès	تقدم	Прогресс	進展	Status	Progreso	进展	Προοδος
Reference	Reference	Référence	الاشارة	Ссылка	リファレンス	Literature	Referencia	参考文献	Παραπομπη
Source Files	Source Files	Source Files	مصدر ملفات	Источник Файлы	ソースファイル	Dateiquelle	Fuente Archivos	原文件	Πηγη Files
Archive	Archive	Archive	ارشيف	Архив	アーカイブ	Archiv	Archivo	存档	Αρχειο
Model Disorder	Model Disorder	Modèle Disorder	نموذج الفوضى	Модель беспорядком	疾患モデル	Ferhlordnung Modellieren	Modelo de la alteración del orden	模型无序化	Μοντελο Διαταραχη
Expand Short Contacts (Hydrogen Bonds)	Expand Short Contacts (Hydrogen Bonds)	Expand court contacts (hydrogène obligations)	توسيع الاتصالات القصيره (الهيدروجين السندات)	Развернуть короткие контакты (водородных связей)	ショートの連絡先を拡大する（水素債）	Wasserstoffbrückenbindungen	Ampliar los contactos a corto (bonos de hidrógeno)	扩展短程连接（氢键）	Αναπτυξτε συντομο επαφες (Hydrogen Bonds)
Editatom	Editatom	Editatom	Editatom	Editatom	editatom	Atome in der Textdatei Bearbeiten	Editatom	编辑原子	Editatom
Main Toolbar	Main Toolbar	Barre d'outils principale	شريط الادوات الرئيسية	Главная панель инструментов	メインツールバー	Werkzeugkiste	Barra de herramientas principal	主工具栏	Κυρια Toolbar
Toolbox Work	Toolbox Work	Boîte à outils de travail	أدوات العمل	Инструменты работы	仕事道具箱	Basiswerkzeug	Caja de herramientas de trabajo	工作工具箱	Εργαλεια Εργασια
Twinning	Twinning	Jumelage	ولادة توأمين	Двойники	双晶	Verzwilligung	Hermanamiento	孪晶	Αδελφοποιηση
Batch	Batch	Batch	الدفعه	Пакетный	バッチ	Serienabfertigung	Batch	批处理	Παρτιδα
Refinement	Refinement	Raffinement	نقاء	Уточнение	洗練	Verfeinerung	Refinamiento	精修	Φινετσα
Move the slider to adjust the threshold for short contacts to be displayed. Alternatively, you can add the required value in the text box.	Move the slider to adjust the threshold for short contacts to be displayed. Alternatively, you can add the required value in the text box.	.	.	.	.	Der gewünschte Grenzwert für die Darstellung von Wasserstoffbrückenbindungen kann entweder mit dem Schieberegler eingestellt werden, oder der Gewünschte Wert kann direkt in das Textfeld eingetragen werden.	Mueva el deslizador para ajustar el umbral de corto contactos que se mostrarán. Si lo prefiere, puede añadir el valor exigido en el cuadro de texto.	.	Μετακινηστε το ρυθμιστικο για την προσαρμογη του κατωτατου οριου για συντομες επαφες που θα εμφανιζονται. Εναλλακτικα, μπορειτε να προσθεσετε την απαιτουμενη τιμη στο πλαισιο κειμενου.
CHN Analysis-target	Calculate the CHN analysis results for the current structure.	Calculez le CHN résultats de l'analyse de la structure actuelle.	حساب CHN تحليل النتائج لهذا الهيكل الحالي.	Рассчитать CHN результаты анализа для существующей структуры.	可分析結果を計算するために、現在の構造です。	Berechnet the CHN Analysewerte der aktuellen Struktur	Calcular la CHN resultados de los análisis de la estructura actual.	分析当前结构的元素组成	Υπολογιστε το CHN αναλυση των αποτελεσματων για την τρεχουσα διαρθρωση.
CHN Analysis-href	CHN Analysis	Analyse CHN	تحليل CHN	Анализ CHN	可分析	CHN Analyse	Análisis CHN	元素分析	CHN Αναλυση
Molecular Isotope Pattern-target	Simulate the molecular isotope pattern for the current structure	Simuler la structure moléculaire des isotopes de la structure actuelle	محاكاه نمط الجزيءيه النظائر المشعه لهذا الهيكل الحالي	Моделирование молекулярной структуры изотопа для нынешней структуры	.	Simuliert das molekulare Isotopenmuster der aktuellen Struktur	Simular el patrón molecular de isótopos para la estructura actual	模拟当前结果的同位素分布图	Προσομοιωνουν τη μοριακη ισοτοπο προτυπο για την τρεχουσα διαρθρωση
Molecular Volume-target	Calculate the molecular volume of the current structure	Calculer le volume moléculaire de la structure actuelle	حساب الجزيءيه حجم الهيكل الحالي	Расчет молекулярного объема существующей структуры	.	Berechnet das Molekularvolumen der aktuellen Struktur	Calcular el volumen molecular de la estructura actual	计算当前结构的分子体积	Υπολογιστε τον ογκο μοριακη δομη της σημερινης
calcvol-href	Volume of Polyhedron around Selected Atom	Volume de Polyhedron autour Selected Atom	حجم الشكل المتعدد السطوح مختارة حول الذرة	Объем полиэдра вокруг Отобрано Атом	ボリュームを選択した原子の周りの多面体	Polyhedervolumen um das selektierte Atom	Polyhedron volumen de alrededor de Selección de Atom	所选原子周围多面体体积	Ογκος των Polyhedron κοντα Επιλεγμενες Atom
calcvol-target	Calculates the volume of a polyhedron around the selected atom	Calcule le volume d'un polyèdre autour de l'atome, sélectionnez	يحسب حجم أ الشكل المتعدد السطوح حول المختاره ذرة	Вычисление объема многогранника вокруг выбранного атома	多面体の周りの体積を算出すると、選択した原子	Berechnet das Volumen eines Polyheders um das selektierte atom	Calcula el volumen de un poliedro alrededor del átomo seleccionado	计算所选原子周围多面体体积	Υπολογιζει τον ογκο ενος polyhedron γυρω απο το επιλεγμενο atom
Solution Program	Solution Program	Solution Program	برنامج الحل	Решение Передачи	.	Strukturlösung	Solución Programa	解析程序	Λυση Προγραμμα
Solution Method	Solution Method	Solution Méthode	طريقة الحل	Решение Метод	解法	Lösungsmethode	Solución Método	解析方法	Λυση Μεθοδος
Reflection File	Reflection File	Réflexion dossier	انعكاس الملف	Отражение файла	反射ファイル	File mit Reflexen	Reflexión Archivo	衍射数据文件	Προβληματισμου αρχειου
Chemical Composition	Chemical Composition	Composition chimique	التركيب الكيميائي	Химическая Состав	化学組成	Chemische Zusammensetzung	Composición Química	化学组成	Χημικη Συνθεση
Number of Formula Units	Number of Formula Units (Z)	Nombre de Formule unités (Z)	عدد الوحدات صيغة (ض)	Количество Формула единиц (Z)	フォーミュラユニット番号（ Z ）を	Anzahl der Formeleinheiten (Z)	Número de Fórmula Unidades (Z)	分子个数	Αριθμος Formula Μοναδες (Z)
Number in Asymmetric Unit	Number in Asymmetric Unit (Z ')	Nombre de Asymmetric Unité (Z ')	عدد غير المتماثله في الوحدة (ض ')	Количество в симметричные группы (Z ')	非対称ユニット番号（ z ' ）	Anzahl in assymmetrischer Einheit (Z')	Número de Unidad asimétrica (Z ')	不对称单元数目	Αριθμος και Ασυμμετρη μοναδα (Z ')
Current Atomic Volume	Current Atomic Volume	Current volume atomique	حجم الذريه الحالية	Текущая атомный объем	現在の原子量	Molekularvolumen	Actualidad Atómica volumen	当前原子体积	Τρεχοντα Ατομικης τομος
Space Group	Space Group	Groupe Espace	الفضاء المجموعة	Космос группы	空間群	Raumgruppe	Grupo Espacial	空间群	Space Group
Suggest SG	Suggest SG	Suggérer SG	وتشير الجريدة الرسمية	Предложи С.Г.	提案販売費	RG vorschlagen	Sugerir SG	建议空间群	Προτεινω ΓΓ
Sample Structures	Sample Structures	Structures Sample	عينه هياكل	Примеы	.	Beispielstrukturen	Ejemplos de Estructuras	示例结构	Δειγμα Δομες
Edit Atom	Edit Atom	Edit Atom	تحرير ذرة	Изменить Атом	編集原子	Atom Bearbeiten	Editar Atom	编辑原子	Επεξεργασια Atom
Expand Short Contacts	Expand Short Contacts	Expand court Contacts	توسيع الاتصالات القصيره	Развернуть короткие контакты	ショートの連絡先を拡大	Kurze Kontakte Expandieren	Ampliar corto contactos	扩展短程连接	Αναπτυξτε συντομο επαφες
selected atoms	Selected Atoms	Sélectionnez atomes	ذرات مختارة	отдельных атомов	選択した原子	selektierte Atome	Átomos seleccionados	选择原子	επιλεγμενα ατομα
Hydrogen Bonds	Hydrogen Bonds	Hydrogen Bonds	الهيدروجين السندات	Водород Облигации	水素債	H-Bindungen	Bonos de hidrógeno	氢键	Hydrogen Bonds
Histories	Histories	Histoires	التواريخ	Истории	履歴	Verläufe	Historias de Éxito	历史记录	Ιστοριες
Selection	Selection	Sélection	إختيار	Выделение	選択	Auswahl	Selección	选择	Επιλογη
Invert	Invert	Inverser	المقلوب	Инвертировать	反転	Invertieren	Invertir	反选	Αντιστροφη
Deselect	Deselect	Désélectionner	ارفض	Убрать	選択を解除	Deselektieren	Desmarque	取消选择	Αναιρεσετε
Delete	Delete	Supprimer	حذف	Удалить	削除	Löschen	Eliminar	删除	Διαγραφη
Previous	Previous	Précédent	السابق	Предыдущие	前の	Voerherige	Anterior	前一步	Προηγουμενη
Rings	Rings	Bagues	حلقات	Кольца	指輪	Ringe	Anillos	环	Δαχτυλιδια
B&W	B&W	B & W	أبيض وأسود	Б и В	モノクロ	B&W	B & W	黑/白	B & W
Assemble	Assemble	Montons	تجمع	собираться	アセンブル	Ergänzen	Montamos	组装	συναρμολογησουν
assemble-target	Assemble fragmented asymmetric unit	.	.	.	.	.	.	组装碎片结构	.
move_near-target	Select an atom. Click this button. Subsequently clicked atoms will be moved close to the originally selected atom.	Cliquez sur un atome. Ensuite, cliquez sur les atomes lequel vous souhaitez déplacer près de l'atome initialement sélectionnés	انقر على ذرة واحدة. ثم انقر على تلك الذرات التي ترغب في نقل قريبة الى اختيارها في البداية ذرة	Нажмите на один атом. Затем нажмите на эти атомы, которые вы хотите переместить ближе к первоначально выбранный атом	原子の1つをクリックしてください。 Then click on those atoms which you want to move close to the initially selected atom	In die Nähe schieben	Haga clic en un átomo. A continuación, haga clic en los átomos que desea mover cerca de los inicialmente seleccionados átomo	点击选择原子，再点击目标原子以移动到已选原子附近	Καντε κλικ σε ενα ατομο. Στη συνεχεια, καντε κλικ σε αυτα τα ατομα τα οποια θελετε να μετακινησετε κοντα στα αρχικα επιλεγμενο atom
copy_near-target	Select and atom. After clicking this button, subequently clicked atoms will be copied near the originally selected atom.	Cliquez sur un atome. Ensuite, cliquez sur les atomes que vous voulez copier à proximité de l'atome initialement sélectionnés	انقر على ذرة واحدة. ثم انقر على تلك الذرات التي تريد نسخة قريبة الى اختيارها في البداية ذرة	Нажмите на один атом. Затем нажмите на эти атомы, которые Вы хотите скопировать близко к первоначально выбранный атом	原子の1つをクリックしてください。 Then click on those atoms which you want to copy close to the initially selected atom	In die Nähe kopieren	Haga clic en un átomo. A continuación, haga clic en los átomos que desea copiar cerca de los inicialmente seleccionados átomo	点击选择原子，再点击目标原子以复制到所选原子附近	Καντε κλικ σε ενα ατομο. Στη συνεχεια, καντε κλικ σε αυτα τα ατομα τα οποια θελετε να αντιγραψετε κοντα στα αρχικα επιλεγμενο atom
mode_grow-target	Will show clickable 'bonds' to those atoms that can be grown	Obligations où apparaissent de plus en plus possible. Cliquez sur ces liens pour grandir.	سندات يبدو فيها المتنامي هو ممكن. انقر على هذه السندات لتنمو منها.	Облигации появляться где рост возможен. Нажмите на эти облигации расти им.	ボンズはどこに表示される可能性が高まっています。これらの債券をクリックして成長しています。	Grow Modus	Bonos de aparecer en el lugar cada vez que es posible. Haga clic en estos bonos para crecer.	在可生长的方向将出现键，点击后碎片将沿其方向生长	Ομολογα οπου εμφανιζεται αυξανομενος ειναι δυνατον. Καντε κλικ για να μεγαλωσουν αυτα τα ομολογα τους.
center_on_cell-target	Centers all fragments on the center of the unit cell	Centres de tous les fragments sur le centre de la cellule unité	جميع مراكز شظايا على مركز للوحدة خلية	Центры все фрагменты по центру в элементарной ячейке	Centers all fragments on the center of the unit cell	German	Centros todos los fragmentos en el centro de la celda unidad	将所有片段中心与晶胞中心重叠	Κεντρα για ολα τα τεμαχια απο το κεντρο της μοναδας κελι
center_on_largest_fragment-target	Centers all fragments on the largest fragment	Cetners tous les fragments sur le plus gros fragment	Cetners جميع شظايا على اكبر جزء	Cetners все фрагменты по величине фрагмент	すべてのかけらは、最大のフラグメントcetners	German	Cetners todos los fragmentos en el fragmento más grande	将所有片段中心放置于最大片段上	Cetners ολα τα κομματια για το μεγαλυτερο κατακερματισουν
Basis-target	Show the basis vector	Interrupteurs l'affichage de la base sur les vecteurs	مفاتيح عرض على أساس نواقل	Ключи дисплее основе векторов на	スイッチは、ディスプレイ上の基礎ベクトル	Basisvektor anzeigen	Cambia la pantalla de la base de vectores	显示晶轴矢量	Αλλαζει την εμφανιση των φορεων σχετικα με τη βαση
grow_all-target	Grows all possible fragments in the structure	Pousse tous les fragments possibles dans la structure	ينمو كل ما يمكن من شظايا في الهيكل	Растет всех возможных фрагментов в структуре	すべての可能性は、構造物の破片が生える	German	Crece todos los posibles fragmentos en la estructura	生长结构中所有可能的片段	Μεγαλωνει ολα τα δυνατα κομματια της δομης
Asymmetric Unit	Asymmetric Unit	Unité asymétrique	غير المتماثله وحده	Асимметричный группы	非対称ユニット	Asymmetrische Einheit	Unidad asimétrica	不对称单元	Ασυμμετρες μοναδας
Q-Peaks	Q-Peaks	Q-Peaks	س - ذرى	Q-Вершины	問-ピークス	Elektronendichte Peaks	Q-Picos	Q峰	Q-Peaks
Labels	Labels	Labels	علامات	Ярлыки	ラベル	Name	Etiquetas	原子标签	Ετικετες
Expand	Expand	Expand	توسع	Расширять	拡大	Erweitern	Expand	扩展	Αναπτυξτε
Link	Link	Lien	الوصله	Link	リンク	Verknüpfe	Link	连接	Link
Assign	Assign	Assigner	اسناد	Назначить	割り当てる	Zuweisen	Asignar	指定	Assign
report	Report	Rapport	تقرير	Доклад	報告	Bericht	Informe	报告	Εκθεση
Search for Twin Laws	Search for Twin Laws	Trouver des lois Twin	البحث عن التوأمين القوانين	Поиск по двойной законы	双子の法律を検索する	Verzwilligungsgesetz suchen	Buscar Twin leyes	寻找孪晶规则	Αναζητηση για Twin νομους
Use Fader	Use Fader	Utilisez Fader	استخدام ترويسه	Использование Fader	使用フェーダー	Überblendungsmodus	Utilice Fader	使用渐变模式	Χρηση Fader
Style	Style	Style	الاسلوب	Стиль	スタイル	Stileinstellungen	Estilo	风格	Στυλ
Match All Fragments	Match All Fragments	Match tous les fragments	مباراة جميع شظايا	Матч всех фрагментов	試合すべてのかけら	Alle Fragmente überlagern	Combinar todos los fragmentos	匹配所有片段	Ταιριαζουν με ολα τα θραυσματα
UnMatch	UnMatch	UnMatch	Unmatch	UnMatch	アンマッチ	Überlagerung enfernen	UnMatch	不匹配	UnMatch
Match Selected Atoms	Match Selected Atoms	Match sélectionné atomes	المباراة مختارة ذرات	Матч Отдельные атомы	試合選択した原子	Angewählte Atome überlagern	Match seleccionado átomos	匹配已选原子	Match επιλεγμενα ατομα
Match All Fragments-target	Automatically matches all currently loaded fragments	Automatiquement tous les matches actuellement chargé des fragments	تلقائيا جميع مباريات حاليا تحميلها شظايا	Автоматически все матчи в настоящее время загружаются фрагменты	試合が自動的に読み込まれ、現在のところすべてのかけら	German	Automáticamente todos los partidos cargan actualmente fragmentos	自动匹配当前所有已经载入的片段	Αυτοματα ολες οι αγωνες που φορτωνονται θραυσματα
Match Selected Atoms-target	Matches selected atoms in different fragments. A minimum of four atoms need to be selected	Matchs atomes sélectionnés dans différents fragments. Un minimum de quatre atomes doivent être sélectionnés	مباريات مختارة في مختلف أجزاء الذرات. لا تقل عن اربع ذرات تحتاج الى مختارة	Матчи отдельных атомов в различных фрагментов. Как минимум из четырех атомов, должны быть выбраны	別の試合で選択した原子のかけら。 A minimum of four atoms need to be selected	German	Matches átomos seleccionados en los diferentes fragmentos. Un mínimo de cuatro átomos deben ser seleccionados	匹配不同片段中已选原子。最少要选择4个原子	Αντιστοιχιες επιλεγμενα ατομα σε διαφορετικα κομματια. Ενα ελαχιστο τεσσαρων ατομων θα πρεπει να επιλεγονται
Mode Match-help	Load another structure with Overlay Structure, then click on a pair of atoms. Repeat two more times to define a plane. Press ESCAPE repeatedly to start selection from scratch.	Chargez une autre structure avec Overlay Structure, puis cliquez sur une paire d'atomes. Répétez deux fois de définir un plan. Appuyez sur ESCAPE sélection à plusieurs reprises pour commencer à partir de zéro.	حمل آخر هيكل مع هيكل الغطاء ، ثم اضغط على زوج من الذرات. اكرر اثنين من اكثر الاوقات لتحديد الطائرة. الصحافة الفرار مرارا لاختيار بدء من الصفر.	Загрузите другую структуру с Наложение структуры, а затем нажмите на пару атомов. Повторите еще два раза, чтобы определить плоскости. Пресс ESCAPE неоднократно начинать отбор с нуля.	Load another structure with Overlay Structure, then click on a pair of atoms.さらに2回繰り返す飛行機を定義することです。を押して選択を開始スクラッチから脱出を繰り返しています。	In diesem Modus lassen sich Atome oder Fragmente überlagern	De carga con otra estructura de superposición de estructura, y luego hacer clic sobre un par de átomos. Repita dos veces más para definir un avión. Pulse ESCAPE varias veces para la selección empezar desde cero.	为显示重叠载入另一个结构，然后点击一对原子。重复两次以上确定平面，若需要从头开始选择请重复按ESCAPE。	Load αλλη δομη με Υπερθεση Δομη, στη συνεχεια, καντε κλικ σε ενα ζευγος ατομων. Επαναλαβετε αλλες δυο φορες να καθορισει ενα αεροπλανο. Πιεστε επανειλημμενα ESCAPE επιλογη για να ξεκινησει απο το μηδεν.
Collapse	Collapse	Collapse	انهيار	Крах	崩壊	Verstecken	Collapse	崩溃	Collapse
Summary	Summary	Sommaire	خلاصة	Резюме	概要	Zusammenfassung	Resumen	概要	Περιληψη
Tables	Tables	Tableaux	الجداول	Столы	テーブル	Tabellen	Cuadros	表格	Πινακες
Diffractometer	Diffractometer	Diffractomètre	ديفراكتوميتر	Diffractometer	回折	Diffraktometer	Diffractometer	衍射仪	Diffractometer
Temperature	Temperature	Température	درجة الحراره	Температура	気温	Temperatur	Temperatura	温度	Θερμοκρασια
Special Details	Special Details	Détails spécial	التفاصيل الخاصة	Специальный Подробности	特別の詳細	Spezielle Angaben	Especial Detalles	特殊信息	Ειδικη Λεπτομερειες
Systematic Name	Systematic Name	Nom systématique	اسم منهجي	Систематические Имя	系統名	German	Nombre sistemático	系统命名	Συστηματικη ονομασια
Preparation Details	Preparation Details	Préparation Détails	اعداد التفاصيل	Подготовка Подробности	製剤の詳細	Synthese	Preparación Detalles	制备信息	Προετοιμασια Λεπτομερειες
Crystallisation Details	Crystallisation Details	Cristallisation Détails	Crystallisation التفاصيل	Crystallisation Подробности	詳細crystallisation	Kristallisation	Cristalización Detalles	结晶信息	Κρυσταλλωσης Λεπτομερειες
Author	Author	Auteur	المؤلف	Автор	著者	Autor	Autor	作者	Συγγραφεας
Contact	Contact	Contact	الاتصال	Контакты	接触	Kontakt	Contacto	联系方式	Επικοινωνια
Address	Address	Adresse	العنوان	Адрес	住所	Adresse	Dirección	地址	Διευθυνση
Phone	Phone	Téléphone	هاتف	Телефон	電話	Telephone	Teléfono	电话	Τηλεφωνο
Requested Journal	Requested Journal	Prié Journal	طلب اليوميه	Просил Журнала	リクエストジャーナル	Gewünschtes Journal	Pidió Diario	所投刊物	Ζητησε Εφημεριδα
Contact Letter	Contact Letter	Contact Lettre	الاتصال الرسالة	Контакт Письмо	お問い合わせの手紙	Kontaktbrief	Contacto Carta	联系函	Επικοινωνια Επιστολη
File	File	Fichier	الملف	Файл	ファイル	Datei	Archivo	文件	Αρχειο
Authors	Authors	Auteurs	المؤلفون	Авторам	作者	Autoren	Autores	作者	Συγγραφεις
Journal	Journal	Journal	مجلة	Журнале	ジャーナル	Journal	Diario	刊物	Εφημεριδα
Volume	Volume	Volume	حجم	Том	出来高	Ausgabe	Tomo	卷	Ογκος
Year	Year	Année	السنة	Год	年	Jahr	Año	年	Ετος
Comment	Comment	Commentaire	التعليق	Комментировать	コメント	Notitz	Comentario	备注	Σχολιο
Status	Status	Situation	المركز	Статус	ステータス	Bearbeitungsverlauf	Condición	状态	Status
BCA York Workshop-news	We have held our first ever Olex2 workshop immediately after this year's BCA Spring Meeting in York. We thank the 23 participants for their interest! In case we haven't managed to put you off Olex2, please let us know about any difficulties you may encounter - and as always: Suggestions are more than welcome.	.	.	.	.	Direkt im Anschluss and das diesjährige BCA Treffen in York fand der erste ofizielle Olex2 Workshop stattfinden. Mit 23 Teilnehmern war dieser fast voll ausgebucht	Inmediatamente después de este año del Primavera BCA reunión que celebraremos nuestro primer Olex2 workhop. Póngase en contacto con nosotros para más información!	在今年的BCA Spring Meeting结束后，我们在约克召开了首次Olex2讨论会。我们感谢23位会议参与者。如果您将继续使用Olex2，在遇到任何问题时请联系我们。欢迎提出您的宝贵建议	Αμεσως μετα τη φετινη εαρινη συνοδο BCA θα εχουμε την πρωτη μας ποτε Olex2 workhop. Παρακαλουμε επικοινωνηστε μαζι μας για περισσοτερες πληροφοριες!
Program Errors-news	.	.	.	.	.	Da Olex2 immer noch in der Entwicklung steckt, kommen häufiger Fehler vor. Wir können aus diesen lernen. Deshalb wird von nun an dieses Zeichen immer dann erscheinen, wenn irgendwo etwas falsch gelaufen ist. Bitte klicken Sie auf dieses Zeichen und senden Sie uns den Inhalt an: <a href=<'shell mailto:horst.puschmann@durham.ac.u'>horst</a>. Vielen Dank!	.	程序错误－新闻	.
New Workflow-news	We are currently working on a new Olex2 workflow for the solution and refinement stages. Feedback and suggestions in this area are welcome!	.	.	.	.	Wir arbeiten gerade ein einer Neuen 'Workflow'Philosphie für Olex2. Dies ist nicht so einfach, und wir würden uns riesig über Vorschläge und Anregungen freuen.	En la actualidad estamos trabajando en un nuevo Olex2 para la solución de flujo de trabajo y el perfeccionamiento etapas. Comentarios y sugerencias en este ámbito son bienvenidas!	我们正在研究一个用于构解析和精修的OLEX2新工作流程。欢迎提出您宝贵的建议。	Αυτη τη στιγμη εργαζομαστε για ενα νεο Olex2 ροη εργασιας για τη λυση και την ομαλοποιηση σταδια. Feedback και προτασεις στον τομεα αυτο ειναι ευπροσδεκτα!
work	work	.	.	.	.	Arbeit	work	工作	εργασια
View	view	.	.	.	.	Ansicht	view	查看	Ενοψει
Edit Style	Edit Style	.	.	.	.	Stileinstellung	.	编辑风格	.
Electron Density Viewer-news	.	.	.	.	.	.	.	电子云密度查看器－新闻	.
electron density	Electron Density	.	.	.	.	Elektronendichte	.	电子云密度	.
electron-density-help	The electron density viewer will calculate various electron density maps and allowsthe display of these in a variety of formats. <b>Please Note:</b> Close to zero, these maps become very messy (and slow to display). Olex2 therefore does not display these regions.&&@Available maps@~diff~Will calculate the difference map.~fcalc~Will display the calculated electron density.~2Fo-Fc~Will calculate the map of 2Fobs-Fcalc.@Available Soure@~olex~Olex2 will caluclate the structure factors.~fcf~The structure factors will be read from a ShelXL fcf.@Command Line@XXCalcFourierXXTT mapping_and_masks,electron-density-help TT&&	.	.	.	.	.	.	.	.
autochem	AutoChem	.	.	.	.	AutoChem	.	Autochem	.
autochem-help	This is the testing GUI for the AutoChem Project. It is not part of Olex2 and should be treated with care. This GUI and its functionality will change frequently and is not meant for public use.<br>
There are various modes in which this tool can be run. The current structure with its current settings can be run in AutoChem, a list of structures kept in a file can be run or else all structures where there is a hkl and res/ins file in the target directory. The solution and refinement settings that are currently selected will be used. Some amount of data harvesting will happen, and in theory it should be possible to filter the datasets by these criteria - however, this is not debugged and will cause grief. <b>Please use this tool with a lot of caution!.</b>	.	.	.	.	.	.	这是AutoChem项目的测试GUI界面。请注意Autochem并不是Olex2的一部分。这个GUI界面以及其功能更新较为频繁，并且不是公用程序。<br>此项工具有若干运行模式。当前结构及其设置都可以在Autochem中运行。结构列表被保存在一个文件中，或每个结构目录下都有一个hkl和res/ins文件。当前选定的结构解析和精修设置都将应用到Autochem中。理论上是可以通过设定一些标准来进行数据过滤，但是此功能没有进行纠错，可能会导致一些不理想的结果。 <b>请谨慎使用此工具！</b>	.
bad-reflections-help	A list of those reflections that have been flagged by the refinement program ShelXL will be shown in this panel.
&&
@Omit all equivalents of a reflection@
You may choose to omit a reflection totally by pressing the OMIT link. This will insert the appropriate OMIT instruction.
@Omit a particular instance of a reflection@
You can also choose to omit a particular reflection (e.g. because it was under the beam-stop). To do so, click the <a href=edithkl>Edit Reflections</a> link at the bottom of the list of bad reflections. This will bring up a window with all the reflections in your reflection file, grouped by equivalent reflections. By adding the minus symbol '-' in front of a particular reflections, this reflection will be moved to the bottom of the hkl file (after the '0 0 0' instruction, which tells the refinement program to ignore it.
&&	.	.	.	.	.	.	此面板中显示的是精修程序ShelXL挑选出的较差衍射点的列表。&&@删掉所有等价衍射点。@您只需要点击OMIT链接来删除某个衍射点。适当的OMIT命令将被插入在INS文件中。@删除特定位置的衍射点。@您也可以选择删除特定的衍射点（例如，Beam－stop位置的衍射点）。点击在差衍射点列表底端的 <a href=edithkl>Edit Reflections</a> 链接后，弹出通过等价衍射点分组的所有衍射点列表。在特殊衍射点前加上符号“－”即可将此衍射点移到hkl文件的底端（在“0 0 0”命令后，即让精修程序忽略此点）。&&	.
naming-help	This GUI can be used for naming atoms in a molecule. However, in some cases it might be better to use the command line to name atoms more efficiently.&&@Using The Gui@After pressing the 'GO' button, you will be in a mode. That means, that something# will happen to all <i>subsequently</i> clicked atoms. In this case:~Start~The clicked atom will be named with the Current atom type (unless 'Type' is set to something else) and numbered starting from the number that is entered in this box.~Suffix~A suffix will  be given to the atom, with all other settings in place~Type~The atom type of the atom will be changed as well as all other settings will be applied.n^When you are in a mode, the mouse pointer changes. In some modes it simply becomes a hand-symbol, but in other cases the pointer will tell you what will happen if you click on an atom.^n@Using the Command Line@~name sel <i>type</i>~Will change all currently selected atoms into the new type~name sel <i>integer</i>~Will renumber all currently selected atoms in the order of which they were selected starting from <Number>&&	.	.	.	.	#######################################################This is the <b>German</b> translation of this item in progress.You are the first person to work on a translation of this itemPlease insert your translation here.If you are finished, please delete these lines.#######################################################This GUI can be used for naming atoms in a molecule. However, in some cases it might be better to use the command line to name atoms more efficiently.&&@Using The Gui@After pressing the 'GO' button, you will be in a mode. That means, that something will happen to all <i>subsequently</i> clicked atoms. In this case:~Start~The clicked atom will be named with the Current atom type (unless 'Type' is set to something else) and numbered starting from the number that is entered in this box.~Suffix~A suffix will  be given to the atom, with all other settings in place~Type~The atom type of the atom will be changed as well as all other settings will be applied.<br>When you are in a mode, the mouse pointer changes. In some modes it simply becomes a hand-symbol, but in other cases the pointer will tell you what will happen if you click on an atom.@Using the Command Line@~name sel <i>type</i>~Will change all currently selected atoms into the new type~name sel <i>integer</i>~Will renumber all currently selected atoms in the order of which they were selected starting from <Number>&&	.	在此GUI界面可对模型中原子进行命名。然而，在某些情况下通过命令行的模式进行命名也许会更加快捷。&&@此GUI界面的使用@在按下“GO”按钮后就进入了命名模式。这意味着如果点击原子此功能就会发生作用。在此:~开始~点击的原子将被命名为当前元素种类（除非“种类”有变化），序号以此文本框中数字为起始。~后缀~可以在其它设置的同时给原子加上后缀。~种类~原子种类与其它设置相同也是可变的。<br>当您使用此功能时，鼠标指针将会改变。在有些情况下，鼠标指针仅变为手型；但在其它情况下，指针的形状将告诉您如果点击一个原子将会发生什么变化。@使用命令行模式@~name sel <i>种类</i>~将所有当前已选的原子命名为一种新的元素。~name sel <i>整数</i>~将所有当前已选的原子从 <Number>开始重新按照选择顺序命名&&	.
Select-help	There are some sophisticated tools for atom selection available. Some of these can be addressed from the GUI, others only from the command line. The selection is a key concept in Olex2 - many things can operate on the current selection via the 'sel' command. Examples are listed below.&&@Selections from the GUI@Most items on the GUI are self-explanatory. Particularly useful are the ability to reselect a previous selection, and also the ability to select atoms on the basis of their U<sub>eq</sub>.~Rings~ can be selected by the predefined items in the drop-down menu - but ring-selection is not limited. You can simply type in the drop-down box and the selection on the screen will follow. Pyridine can be addressed as C5N as well as CCCCCN.@Selections from the Command Line@There is a relative complicated syntax in Olex2 that allows you to make very precise selections. Help on this will follow.@Examples for using selections@~sel~ The response depends on the number of selected atoms. If two are selected, the distance between the two will be returned. If three are selected, the distances and angles will be returned. If four are selected, the torsion angle will also be reported~name sel <i>integer</i>~ Will name the selected atoms in the order in which they were selected starting with the integer given.~name sel <i>type</i>~ Will change the atom type of all selected atoms to the type given.~kill sel~ Will delete the selected atoms (CTRL+Z will undo this!)&&	.	.	.	.	.	.	这里有一些原子选择的高端工具。有些能共同GUI界面实现，有些就只能通过命令行模式实现。在Olex2中选择是一个重要的概念。- 许多操作都是通过“sel”命令来表示当前已选部分。例如，&&@在此GUI界面上选择@在此GUI上大多数项目都是显而易见的。其中重复选择上一次选择的功能和按照 U<sub>eq</sub>来选择的功能尤其有用，~环~ 在此可选择在下拉菜单中预订好的项目。同时也可以在下拉菜单中填入想选择的环即可选择。可以用C5N或CCCCCN来代表。@通过命令进行选择@在Olex2中通过较为复杂的语句法则可以获得精确的选择功能。关于此项将会有一个详细的帮助。@用sel的示例@~sel~ 此项功能决定于已选原子数目。如果只是选择了两个原子，键入此命令将会显示两原子间距离。如果选择了三个原子，距离和角度都将显示。如果选择了四个原子，那么二面角也会显示出来。~name sel <i>整数</i>~ 此命令将按照选择顺序命名已选原子，并且以给出的整数为起始。~name sel <i>种类</i>~将改变所有已选原子的种类为所给值。~kill sel~ 将删除已选原子(CTRL+Z可以恢复此操作!)&&	.
Return to main menu	Return to main menu	.	.	.	.	Zurück zum Hauptmenu	.	返回主菜单	.
DFIX-target	DFIX d s[0.02] atom pair	.	.	.	.	.	.	DFIX d s[0.02] 原子对	.
DFIX-help	&&
~DFIX d s[0.02] atom pairs~
&Aring; The distance between the first and second named atom, the third and fourth, fifth and sixth etc. (if present) is restrained to a target value d with an estimated standard deviation s. d may refer to a 'free variable', otherwise it is considered to be fixed. Fixing d by adding 10 is not allowed, so the value may lie between 0 and 15.<br>
If d is given a negative sign, the restraint is applied ONLY if the current distance between the two atoms is LESS than |d|. This is an 'anti-bumping' restraint, and may be used to prevent solvent (water) molecules from approaching too close to one another or to a macromolecule.<br>
Antibumping restraints may also be generated automatically using the BUMP instruction (see below). The default value of s is 0.02. The default s may be changed by means of a preceding DEFS instruction (see below).
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
DANG-target	DANG d s[0.04] atom pairs	.	.	.	.	.	.	DANG d s[0.04] 原子对	.
DANG-help	&&
~DANG d s[0.04] atom pairs~
This instruction is interpreted in exactly the same way as DFIX, but the default value of s is twice the value of the first DEFS parameter (i.e. 0.04 if no DEFS instruction is used). The DFIX and DANG instructions appear separately in the table of restraint statistics. DANG is usually used for 1,3 or 'angle distances', i.e. distances between two atoms that are both
bonded to the same atom. The distance between the first and second named atom, the third and fourth, fifth and sixth etc. (if present) is restrained to a target value d with an estimated standard deviation s. d may refer to a 'free variable', otherwise it is considered to be fixed.<br>
Fixing d by adding 10 is not allowed, so the value may lie between 0 and 15.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
BUMP-help	&&
~BUMP s [0.02]~
'Anti-bumping' restraints are generated automatically for all distances involving two nonbonded C, N, O and S atoms (based on the SFAC type) that are shorter than the expected shortest non-bonded distances, allowing for the possibility of hydrogen bonds. All pairs of atoms that are not connected by one, two or three bonds in the connectivity table are considered to be non-bonded for this purpose. Anti-bumping restraints are also generated for short contacts between hydrogen atoms (if present) provided that the two hydrogen atoms are not bonded to the same atom; this should help to avoid energetically unfavorable side-chain conformations. If the sum of occupancies of the two atoms is less than 1.1, no restraint is generated; also if the atoms have different PART numbers and neither of them is zero no restraint is generated.<br>
The default esd s is the first DEFS parameter (0.02 if there is no DEFS instruction). If s is given a negative sign, the absolute value is used as an esd, and symmetry equivalent atoms in the connectivity array are considered too in deciding which atoms are connected and so should not have anti-bumping restraints applied. Thus when s is positive (the default action if s is not specified on the BUMP instruction) short contacts between appropriate atoms in different asymmetric units ALWAYS result in anti-bumping restraints. This will be the normal procedure for macromolecular refinements (where it helps to eliminate accidental contacts between molecules in low-resolution refinements), but in the (unusual) case of a crystallographic twofold axis running through (say) a disulfide bond it will be necessary to make s negative to prevent the generation of anti-bumping restraints that would break the bond. Refinement with anti-bumping restraints provides a solvent model with acceptable hydrogen bonding distances that is consistent with the diffraction data. The anti-bumping restraints are regenerated before each refinement cycle. Anti-bumping restraints can also be added by hand using DFIX instructions with negative distances d.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
SAME-help	&&
~SAME s1[0.02] s2[0.02] atomnames~
The list of atoms (which may include the symbol '>' meaning all intervening non-hydrogen atoms in a forward direction, or '<' meaning all intervening non-hydrogen atoms in a backward direction) is compared with the same number of atoms which follow the SAME instruction. All bonds in the connectivity list for which both atoms are present in the SAME list are restrained to be the same length as those between the corresponding following atoms (with an effective standard deviation s1). The same applies to 1,3 distances (defined by two bonds in the connectivity list which share a common atom), with standard deviation s2. The default value of s1 is taken from the first DEFS parameter; the default value of s2 is twice this. s1 or s2 may be set to zero to switch off the corresponding restraints. The program automatically sets
up the n*(n-1)/2 restraint equations required when n interatomic distances should be equal. This ensures optimum efficiency and avoids arbitrary unequal weights. Only the minimum set of restraints needs to be specified in the .ins file; redundant restraints are ignored by the program, provided that they have the same sigma values as the unique set of restraints. See also SADI and NCSY for closely related restraints.<br>
The position of a SAME instruction in the input file is critical. This creates problems for programs such as SHELXPRO that provide a user interface to SHELXL, and for protein refinements SADI is to be preferred (e.g. to apply 4m local symmetry to a heme group); normally for proteins most of the 1,2- and 1,3-distances will be restrained to target values using DFIX and DANG respectivelly anyway. However SAME provides an elegant way of specifying that chemically identical but crystallographically independent molecules have the same 1,2 and 1,3 distances, e.g.<br>
C1A<br>
:<br>
C19A<br>
SAME C1A > C19A<br>
C1B<br>
:<br>
C19B<br>
SAME C1A > C19A<br>
C1C<br>
:<br>
C19C<br>
etc. This requires just n-1 SAME instructions for n equivalent molecules. In a more complicated example, assume that a structure contains several toluene solvent molecules that have been assigned the same atom names (in the same order!) and the same residue name (Tol) but different residue numbers, then one SAME instruction suffices:<br>
SAME_Tol C1 > C7<br>
This instruction may be inserted anywhere except after the last Tol residue; the program applies it as if it were inserted before the next atom that matches C1_Tol . This is convenient for proteins with repeated non-standard residues, since one command suffices to apply suitable restraints, and no target values are needed, for compatibility with SHELXPRO tis SAME instruction has to be placed before the FVAR instruction. This is an exception to the usual rule that the action of a SAME instruction is position dependent; but it might be best to put it before a toluene residue with good geometry, since the connectivity table for this residue will be used to define the 1,2- and 1,3-distances. In this case it would also be reasonable to impose local two-fold symmetry for each phenyl ring, so a further SAME instruction could be added immediately before one toluene residue (the ring is assumed to be labeled cyclicly C1 .. C6 followed by the methyl group C7 which is attached to C1):<br>
SAME C1 C6 < C2 C7<br>
which is equivalent to:<br>
SAME C1 C6 C5 C4 C3 C2 C7<br>
Note that these two SAME restraints are all that is required, however many PHE residues are present; the program will generate all indirectly implied 1,2 and 1,3 equal-distance restraints! In this case it would also be sensible to restrain the atoms of each tolune molecule to be coplanar by a FLAT restraint:<br>
FLAT_Tol C1 > C7
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
SADI-help	&&
~SADI s[0.02] atom pairs~
The distances between the first and second named atoms, the third and fourth, fifth and sixth etc. (if present) are restrained to be equal with an effective standard deviation s. The SAME and SADI restraints are analyzed together by the program to find redundant and implied restraints. The same effect as is obtained using SADI can also be produced by using DFIX with d tied to a free variable, but the latter costs one more least-squares parameter (but in turn produces a value and esd for this parameter). The default effective standard deviations for SADI may be changed by means of a DEFS instruction before the instruction in question.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
CHIV-help	&&
~CHIV V[0] s[0.1] atomnames~
The chiral volumes of the named atoms are restrained to the value V (in cubic angstrom) with standard deviation s. The chiral volume is defined as the volume of the tetrahedron formed by the three bonds to each named atom, which must be bonded to three and only three non-hydrogen atoms in the connectivity list; the (ASCII) alphabetical order of the atoms making these three bonds defines the sign of the chiral volume. Note that RTAB may be used to list chiral volumes defined in the same way but without restraining them. The chiral volume is positive for the alpha-carbon (CA) of an L-amino-acid if the usual names (N, CB and C) are used for the three non-hydrogen atoms bonded to it. It is also possible to define a chiral volume when two substituents are chemically eqivalent but have different names; this may be useful to ensure that CB of a valine retains a pyramidal geometry with the conventional labeling of CG1 and CG2. Note that 'CHIV 0' (or just CHIV since the default V is zero) may be used to impose a planarity restraint on an atom which is bonded to three other non-hydrogen atoms, by making its chiral volume zero. CHIV restraints with zero and non-zero target values are listed separately in the restraints summary printer out after each refinement cycle.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
FLAT-help	&&
~FLAT s[0.1] four or more atoms~
The named atoms are restrained to lie a common plane. This restraint is actually applied by restraining a sufficient number of tetrahedra involving the atoms in question to have (chiral) volumes of zero, using the same algorithm as CHIV. This way of applying a planarity restraint has good convergence properties because it does not fix the orientation of the plane in its current position. s should be given in Å<sup>3</sup> as for CHIV, but for comparison with other methods the r.m.s. deviation from the plane is also printed. The default values of s is set by the second DEFS parameter.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
DELU-help	&&
~DELU s1[0.01] s2[0.01] atomnames~
All bonds in the connectivity list connecting atoms on the same DELU instruction are subject to a 'rigid bond' restraint, i.e. the components of the (anisotropic) displacement parameters in the direction of the bond are restrained to be equal within an effective standard deviation s1. The same type of restraint is applied to 1,3-distances as defined by the connectivity list (atoms 1, 2 and 3 must all be defined on the same DELU instruction). If s2 is omitted it is given the same value as s1. A zero value for s1 or s2 switches off the corresponding restraint. If no atoms are specified, all non-hydrogen atoms are assumed. DELU is ignored if (in the refinement cycle in question) one or both of the atoms concerned is isotropic; in this case a 'hard' restraint is inappropriate, but SIMU may be used in the usual way as a 'soft' restraint. DELU without atom names applies to all non-hydrogen atoms (in the current residue); DELU_* without atoms applies to all non-hydrogen atoms in all residues. SFAC element names may also be referenced, preceded by the symbol '$'. The default values of s1 and s2 may be changed by means of a preceding DEFS instruction.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
SIMU-help	&&
~SIMU s[0.04] st[0.08] dmax[1.7] atomnames~
Atoms closer than dmax are restrained with effective standard deviation s to have the same Uij components. If (according to the connectivity table, i.e. ignoring attached hydrogens) one or both of the two atoms involved is terminal (or not bonded at all), st is used instead as the esd. If s but not st is specified, st is set to twice s. If no atoms are given, all non-hydrogen atoms are understood. SIMU_* with no atoms applies to all non-hydrogen atoms in all residues. SFAC element names may also be referenced, preceded by '$'. The interatomic distance for testing against dmax is calculated from the atom coordinates without using the connectivity table (though the latter is used for deciding if an atom is terminal or makes no bonds).<br> 
Note that SIMU should in general be given a much larger esd (and hence lower weight) than DELU; whereas there is good evidence that DELU restraints should hold accurately for most covalently bonded systems, SIMU (and ISOR) are only rough approximations to reality. s or st may be set to zero to switch off the appropriate restraints.<br>
SIMU is intended for use for larger structures with poorer resolution and data to parameter ratios than are required for full unrestrained anisotropic refinement. It is based on the observation that the Uij values on neighboring atoms in larger molecules tend to be both similar and (when the resolution is poor) significantly correlated with one another. By applying a very weak restraint of this type, we allow a gradual increase and change in direction of the anisotropic displacement parameters as we go out along a side-chain, and we restrain the motion of atoms perpendicular to a planar group (which DELU cannot influence). The use of a distance criterion directly rather than via the connectivity table enables the restraints to be applied automatically to partially overlapping disordered atoms, for which it is an excellent approach. dmax can be set so that coordination distances to metal ions etc. are excluded. Terminal atoms tend to show the largest deviations from equal Uij's and so st should be set higher than s (or made equal to zero to switch off the restraints altogether). SIMU restraints are NOT recommended for SMALL molecules and ions, especially if free rotation or torsion is possible (e.g. C5H5-groups, AsF6- ions). For larger molecular fragments, the effective rotation angles are smaller, and the assumption of equal Uij for neighboring atoms is more appropriate:<br>
both translation and libration of a large fragment will result in relatively similar Uij components on adjacent atoms. SIMU may be combined with ISOR, which applies a further soft but quite different restraint on the Uij components. SIMU may also be used when one or both of the atoms concerned is isotropic, in which case experience indicates that a larger esd (say 0.1 Angstrom2) is appropriate. The default value of s may be changed by a preceding DEFS instruction (st is
then set to twice s).
&&	.	.	.	.	.	.	.	.
DEFS-help	&&
~DEFS sd[0.02] sf[0.1] su[0.01] ss[0.04] maxsof[1]~
DEFS may be used to change the default effective standard deviations for the following DFIX, SAME, SADI, CHIV, FLAT, DELU and SIMU restraints, and is useful when these are to be varied systematically to establish the optimum values for a large structure (e.g. using Rfree). sd is the default for s in the SADI and DFIX instructions, and also for s1 and s2 in the SAME
instruction. sf is the default effective standard deviation for CHIV and FLAT, su is the default for both s1 and s2 in DELU, and ss is the default s for SIMU. The default st for SIMU is set to twice the default s.<br>
maxsof is the maximum allowed value that an occupation factor can refine to; occupation factors that are fixed or tied to free variables are not restricted. It is possible to change this parameter (to say 1.1 to allow for hydrogen atoms) when refining both occupation factors and U's for solvent water in proteins (a popular but suspect way of improving the R factor).
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
ISOR-help	&&
~ISOR s[0.1] st[0.2] atomnames~
The named atoms are restrained with effective standard deviation s so that their Uij components approximate to isotropic behavior; however the corresponding isotropic U is free to vary. ISOR is often applied, perhaps together with SIMU, to allow anisotropic refinement of large organic molecules when the data are not adequate for unrestrained refinement of all the Uij; in particular ISOR can be applied to solvent water for which DELU and SIMU are inappropriate. ISOR should in general be applied as a weak restraint, i.e. with relatively large sigmas, for the reasons discussed above (see SIMU); however it is also useful for preventing individual atoms from becoming 'non-positive-definite'. However it should not be used indiscriminately for this purpose without investigating whether there are reasons (e.g. disorder, wrong scattering factor type etc.) for the atom going n.p.d. If (according to the connectivity table, i.e. ignoring attached hydrogens) the atom is terminal (or makes no bonds), st is used instead as the esd. If s but not st is specified, st is set to twice s. If no atoms are given, all non-hydrogen atoms are understood. SFAC element names may also be referenced, preceded by '$'. s or st may be set to zero to switch offthe appropriate restraints. ISOR without atom names (or ISOR_* if residues are used) applies this restraint to all non-hydrogen atoms. Note also the use of the keyword 'LAST' to indicate the last atom in the .ins file; an anisotropic refinement of a macromolecule will often include:<br>
ISOR 0.1 O_201 > LAST<br>
assuming that the solvent water starts with O_201 and continues until the end of the atom list. ISOR should in general be given a much larger esd (and hence lower weight) than DELU; whereas there is good evidence that DELU restraints should hold accurately for most covalently bonded systems, ISOR (and SIMU) are only rough approximations to reality.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
NCSY-help	&&
~NCSY DN sd[0.1] su[0.05] atoms~
The NCSY instruction applies local non-crystallographic symmetry restraints. In contrast to the widely used global NCS constraints, these do not save any CPU time but do not require the definition (and refinement) of a matrix transformation and mask. They are also very flexible, and can accommodate rotation of the molecule about hinges etc. Since for macromolecules at modest resolution the 1,2- and 1,3-distances are normally restrained to fixed target values by DFIX and DANG restraints, the NCS restraints are generated for equivalent 1,4-distances (if sd is non-zero or absent) and equivalent isotropic U-values (if su is non-zero or absent). The default sd is set to five times the first DEFS parameter, and the default su is equal to the fourth DEFS parameter.<br>
For each atom the program attempts to find an 'equivalent' atom with the same name but with a residue number DN greater than the residue number of the named atom. If sd is greater than zero, the connectivity array is used to find 1,4-distances for which both atoms are specified in the same NCSY instruction; a SADI restraint is then created to make the distance equivalent to the same distance between the equivalent atoms. This is not quite the same as restraining torsion angles to be the same, because + and - gauche would have the same distance; however it is chemically plausible that equivalent side-chain conformations could differ in this way. If su is greater than zero (or absent), a SIMU restraint is generated to make the U-values approximately equal for each pair of 'equivalent' atoms, provided that both are isotropic. NCS restraints should be used whenever possible for isotropic (protein) refinement at modest resolution, since they increase the effective data to parameter ratio and so have a similar effect to that of increasing the resolution of the data. They are also very easy to set up; for example, to apply three-fold NCS restraints to a protein structure containing three equivalent chains numbered 1001-1109, 2001-2109 and 3001-3109, the following two instructions are all that is required:<br>
NCSY 1000 N_1001 > OT2_1109<br>
NCSY 2000 N_1001 > OT2_1109<br>
The atom list may easily be modified to leave out particular loops, residues or side-chains. This is not only easier than specifying a transformation matrix and mask: it also will correspond more closely to reality, because the restraints are more flexible than constraints and also act locally rather than globally.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
SUMP-help	&&~SUMP c sigma c1 m1 c2 m2 ...~
The linear restraint: c = c1*fv(m1) + c2*fv(m2) + ... is applied to the specified free variables. This enables more than two atoms to be assigned to a particular site, with the sum of site occupation factors restrained to be a constant. It also enables linear relations to be imposed between distances used on DFIX restraints, for example to restrain a group of atoms to be collinear. sigma is the effective standard deviation. By way of example, assume that a special position on a four-fold axis is occupied by a mixture of sodium, calcium, aluminium and potassium cations so that the average charge is +2 and the site is fully occupied. The necessary restraints and constraints could be set up as follows (the program will take care of the special position constraints on the coordinates and Uij of course):<br>
SUMP 1.0 0.01 1.0 2 1.0 3 1.0 4 1.0 5 ! site fully occupied<br>
SUMP 2.0 0.01 1.0 2 2.0 3 3.0 4 1.0 5 ! mean charge = +2<br>
EXYZ Na1 Ca1 Al1 K1 ! common x, y and z coordinates<br>
EADP Na1 Ca1 Al1 K1 ! common U or Uij<br>
FVAR ... 0.20 0.30 0.35 0.15 ! starting values for free variables 2..5<br>
...<br>
Na1 ... ... ... ... 20.25 ... ! 0.25 * fv(2) [the 0.25 is required for<br>
Ca1 ... ... ... ... 30.25 ... ! 0.25 * fv(3) a special position on a<br>
Al1 ... ... ... ... 40.25 ... ! 0.25 * fv(4) four-fold axis, i.e. site<br>
K1 ... ... ... ... 50.25 ... ! 0.25 * fv(5) symmetry 4]<br>
This particular refinement would probably still be rather unstable, but the situation could be improved considerably by adding weak SUMP restraints for the elemental analysis. Such SUMP restraints may be used when elements are distributed over several sites in minerals so that the elemental composition corresponds (within suitable standard deviations) to an
experimental chemical analysis.<br>
SUMP may also be applied to BASF, EXTI and BASF parameters, including parameters used to describe twinning (TWIN) and anisotropic scaling (HOPE). The parameters are counted in the order overall scale and free variables, EXTI, then BASF.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
radeon-news	.	.	.	.	.	.	.	镭－新闻	.
htmltool-warning	WARNING: This tool is under construction	.	.	.	.	ACHTUNG: Dieses Tool ist in der Bearbeitung	.	警告：这个工具还在完善中。	.
EXYZ-help	&&
~EXYZ atomnames~
The same x, y and z parameters are used for all the named atoms. This is useful when atoms of different elements share the same site, e.g. in minerals (in which case EADP will probably be used as well). The coordinates (and possibly free variable references) are taken from the named atom which precedes the others in the atom list, and the actual values, free variable
references etc. given for the x, y and z of the other atoms are ignored. An atom should not appear in more than one EXYZ instruction.
&&	.	.	.	.	.	.	EXYZ－帮助	.
EADP-help	&&
~EADP atomnames~
The same isotropic or anisotropic displacement parameters are used for all the named atoms. The displacement parameters (and possibly free variable references) are taken from the named atom which precedes the others in the atom list, and the actual values, free variable references etc. given for the Uij of the other atoms are ignored. The atoms involved must either be all isotropic or all anisotropic. An atom should not appear in more than one EADP instruction. 'Opposite' fluorines of PF6 or disordered -CF3 groups are good candidates for EADP, e.g.<br>
EADP F11 F14<br>
EADP F12 F15<br>
EADP F13 F16<br>
C1 .......<br>
PART 1<br>
F11 ...... 21 ......<br>
F12 ...... 21 ......<br>
F13 ...... 21 ......<br>
PART 2<br>
F14 ...... -21 ......<br>
F15 ...... -21 ......<br>
F16 ...... -21 ......<br>
PART 0<br>
EADP applies an (exact) constraint. The SIMU instruction restrains the Uij components of neighboring atoms to be approximately equal with an appropriate (usually fairly large) esd.
&&	.	.	.	.	.	.	EADP－帮助	.
SADI-use-help	&&
~One Atom Selected~
All 'outgoing' bonds will be restrained to be the same, 
all distances between these bound atoms will also be restrained - with double the e.s.d.<br>
This feature allows to 'regularise' entities like spherical counterions.
~Two or more Bonds Selected~
The selected bonds will be restrained to be the same.
~Three Atoms <i>in a row</i>~
The bonds between the two atoms bound to the central atoms will be restrained to be the same.
~Pairwise atom selection~
If an even number of atoms is selected, the distances between pairs of atoms will be restrained to be the same, depending on the order of selection.
&&	.	.	.	.	.	.	SADI－使用－帮助	.
DFIX-use-help	&&
~One Atom Selected~
All 'outgoing' bonds will be restrained to the distance provided, 
~Two or more Bonds Selected~
The selected bonds will be restrained to the distance provided.
~Three Atoms <i>in a row</i>~
The bonds between the two atoms bound to the central atoms will be restrained to the distance provided.
~Pairwise atom selection~
If an even number of atoms is selected, the distances between pairs of atoms will be restrained to the distance provided, depending on the order of selection.
&&	.	.	.	.	.	.	DFIX－使用－帮助	.
autotidy-help	&&
This module, when activated by ticking the box, will automatically tidy your structure according to the settings.
~Prune Peaks~
Will delete all residual electron density peaks that are smaller than the value given in the box.
~Assign as C~
Will assign all peaks larger than the value in the box to be a Carbon atom.
~Prune Atoms~
Will delete all atoms whose U<sub>eq</sub> is larger than the value in the box.
~Assemble~
When ticked, the structure will automatically be assembled. This might be necessary when the refinement program returns a fragmented molecule.
&&	.	.	.	.	.	.	&&当点击选项框激活此模块后将自动按照设定值整理您的结构。~删除峰~将删除所有低于所给值的电子云密度残余峰。~标定为C~将大于设定值的所有电子云密度峰标定为C原子。~删除原子~将删除所有 U<sub>eq</sub> 大于设定值的原子。~组装~ 当此项被激活后，结构将自动组装。这也许对处理那些精修后为碎片的结构有所帮助。&&	.
autotidy-settings-help	This module, when activated by ticking the box, will automatically tidy your structure according to the settings.
&&
~Prune Peaks~
Will delete all residual electron density peaks that are smaller than the value given in the box.
~Assign as C~
Will assign all peaks larger than the value in the box to be a Carbon atom.
~Prune Atoms~
Will delete all atoms whose U<sub>eq</sub> is larger than the value in the box.
~Assemble~
When ticked, the structure will automatically be assembled. This might be necessary when the refinement program returns a fragmented molecule.
&&	.	.	.	.	.	.	当点击选项框激活此模块后将自动按照设定值整理您的结构。~删除峰~将删除所有低于所给值的电子云密度残余峰。~标定为C~将大于设定值的所有电子云密度峰标定为C原子。~删除原子~将删除所有 U<sub>eq</sub> 大于设定值的原子。~组装~ 当此项被激活后，结构将自动组装。这也许对处理那些精修后为碎片的结构有所帮助。&&	.
direct-methods-help	Direct Methods is a method to solve structures	.	.	.	.	.	.	直接法是一种解析晶体结构的方法	.
charge-flipping-info	Charge Flipping is an ab initio structure determination algorithm	.	.	.	.	.	.	Charge Flipping是一种从头算的结构确定方法	.
direct-methods-info	&&Direct methods is a structure solution method&&
<a href='shell http://journals.iucr.org/a/issues/2008/01/00/sc5010/sc5010.pdf'>Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122</a>	.	.	.	.	.	.	.	.
cgls-info	&&Conjugate gradient least squares (CGLS) is a structure refinement method&&
<a href='shell http://journals.iucr.org/a/issues/2008/01/00/sc5010/sc5010.pdf'>Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122</a>	.	.	.	.	.	.	.	.
least-squares-info	&&Least squares is a structure refinement method&&
<a href='shell http://journals.iucr.org/a/issues/2008/01/00/sc5010/sc5010.pdf'>Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122</a>	.	.	.	.	.	.	.	.
lbfgs-info	LBFGS is a structure refinement method	.	.	.	.	.	.	LBFGS是一种结构精修的方法。	.
shelxl-info	Shelxl performs a full-matrix or conjugate-gradient (CGLS) least-squares  refinement of crystal structures using a conventional structure-factor summation with complex scattering factors.  Whilst primarily intended for refinement of small molecular structure, it can also be used for refinement of macromolecules against high resolution data (better than 2 Å).
<br>The CGLS refinement is suitable for the early stages of refinement of medium and large 'small molecules', whereas a full-matrix least-squares refinement is required to allow esd's to be estimated.	.	.	.	.	.	.	Shelxl通过全矩阵或共轭梯度最小二乘法，并结合复合散射因子和常规综合结构因子进行晶体结构精修。Shelxl主要是用于小分子结构精修，也可以应用于高分辨率大分子数据（高于2Å…）的精修.<br> CGLS适用于中型和大型“小分子”的初期精修，而只有全矩阵最小二乘法能提供估测的系统偏差。	.
PHAN-help	**steps,cool,Boltz,ns,mtpr,mnqr**&& ~PHAN steps [10] cool [0.9] Boltz [#] ns [#] mtpr [40] mnqr [10]~<p>The second stage of phase refinement is based on 'phase annealing' (Sheldrick, 1990. This has proved to be an efficient search method for large structures, and possesses a number of beneficial side-effects. It is based on steps cycles of tangent formula refinement (one cycle is a pass through all ns phases), in which a correction is applied to the tangent formula phase. The phase annealing algorithm gives the magnitude of the correction (it is larger when the 'temperature' is higher; this corresponds to a larger value of Boltz), and the sign is chosen to give the best agreement with the negative quartets (if there are no negative quartets involving the reflection in question, a random sign is used instead). After each cycle through all ns phases, a new value for Boltz is obtained by multiplying the old value by cool; this corresponds to a reduction in the 'temperature'. To save time, only ns reflections are refined using the strongest t^mtpr^t triplets and t^mnqr^t quartets for each reflection (or less, if not so many phase relations can be found). The phase annealing parameters chosen by the program will rarely need to be altered; however if poor convergence is observed, the t^Boltz^t value should be reduced; it should usually be in the range 0.2 to 0.5. When the 'TEXP 0 / TREF' method of multisolution partial structure refinement is employed, Boltz should be set at a somewhat higher value (0.4 to 0.7) so that not too many solutions are duplicated.&&<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
init-help	&& ~INIT nn [#] nf [#] s+ [0.8] s- [0.2] wr [0.2]~
<p>The first stage involves five cycles of weighted tangent formula refinement (based on triplet phase relations only) starting from nn reflections with random phases and weights of 1. Single phase seminvariants which have <font face="Symbol">S</font><sub>1</sub>-formula P<sub>+</sub> values less that s- or greater than s+ are included with their predicted phases and unit weights. All these reflections are held fixed during the INIT stage but refined freely in the subsequent stages. The remaining reflections also start from random phases with initial weights wr, but both the phases and the weights are allowed to vary. 
<p>If nf is non-zero, the nf 'best' (based on the negative quartet and triplet consistency) phase sets are retained and the process repeated for (npp-nf) parallel phase sets, where npp is the previous number of phase sets processed in parallel (often 128). This is repeated for nf fewer phase sets each time until only a quarter of the original number are processed in parallel. This rather involved algorithm is required to make efficient use of available computer memory. Typically nf should be 8 or 16 for 128 parallel permutations.
<p>The purpose of the INIT stage is to feed the phase annealing stage with relatively self-consistent phase sets, which turns out to be more efficient than starting the phase annealing from purely random phases. If TREF 0 is used to generate partial structure phases for all reflections, the INIT stage is skipped. To save time, only ns reflections and the strongest mtpr triplets for each reflection (or less, if not so many can be found) are used in the INIT stage; these numbers are given on the PHAN instruction.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
TREF-help	**np,nE,kapscal,ntan,wn**&& ~TREF np [100] nE [#] kapscal [#] ntan [#] wn [#]~<p>np is the number of direct methods attempts; if negative, only the solution with code number |np| is generated (the code number is in fact a random number seed). Since the random number generation is very machine dependent, this can only be relied upon to generate the same results when run on the same model of computer. This facility is used to generate <i>E</i>-maps for solutions which do not have the 'best' combined figure of merit. No other parameter may be changed if it is desired to repeat a solution in this way. For difficult structures, it may well be necessary to increase np (e.g. TREF 5000) and of course the computer time allocated for the job.<p>nE reflections are employed in the full tangent formula phase refinement. Values of nE that give fewer than 20 unique phase relations per reflection for the full phase refinement are not recommended.<p>kapscal multiplies the products of the three <i>E</i>-values used in triplet phase relations; it may be regarded as a fudge factor to allow for experimental errors and also to discourage overconsistent (uranium atom) solutions in symorphic space groups. If it is negative the cross-term criteria for the negative quartets are relaxed (but all three cross-term reflections must still be measured), and more negative quartets are used in the phase refinement, which is also useful for symorphic space groups.<p>ntan is the number of cycles of full tangent formula refinement, which follows the phase annealing stage and involves all nE reflections; it may be increased (at the cost of CPU time) if there is evidence that the refinement is not converging well. The tangent formula is modified to avoid overconsistency by applying a correction to the resulting phase of cos-1(&lt;&alpha;&gt;/&alpha;) when &lt;&alpha;&gt; is less than &alpha; ; the sign of the correction is chosen to give the best agreement with the negative quartets (a random sign is used if there are no negative quartets involving the phase in question). This tends to drive the figures of merit <i>R</i><i><sub>&alpha;</sub> </i>and N<sub>qual</sub> simultaneously to desirable values. If ntan is negative, a penalty function of (&lt;&Sigma;<sub>1</sub>&gt; - &Sigma;<sub>1</sub>)<sup>2</sup> is added to CFOM (see below) if and only if &Sigma;<sub>1</sub> is less than its estimated value &lt;&Sigma;<sub>1</sub>&gt;. &Sigma;<sub>1</sub> is a weighted sum of the products of the expected and observed signs of one-phase seminvariants, normalized so that it must lie in the range -1 to +1. This is useful (i.e. better than nothing) if no negative quartets have been found or if they are unreliable, e.g. when macromolecular &Delta;<i>F</i> data are employed (see below).<p>wn is a parameter used in calculating the combined figure of merit CFOM: CFOM = <i>R</i><i><sub>&alpha;</sub></i> (NQUAL &lt; wn) or <i>R</i><i><sub>&alpha;</sub></i>+ (wn-NQUAL)<sup>2</sup> (NQUAL &ge; wn); wn should be about 0.1 more negative than the anticipated value of NQUAL. If it is known that the measurements of the weak reflections are unreliable (i.e. have high standard deviations), e.g. because data were collected using the default options on a CAD-4 diffractometer, then the NQUAL figure of merit is less reliable. If the space group does not possess translation symmetry, it is essential to obtain good negative quartets, i.e. to measure ALL reflections for an adequate length of time.<p>Only the TREF instruction is essential to specify direct methods; appropriate INIT, PHAN, FMAP, GRID and PLAN instructions are then generated automatically if not given.&&<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
patt-help	&& ~PATT nv [#] dmin [#] resl [#] Nsup [#] Zmin [#] maxat [#]~

<p>nv is the number of superposition vectors to be tried; if it is negative the search for possible origin shifts is made more exhaustive by relaxing various tolerances etc. dmin is the minimum allowed length for a heavy-atom to heavy-atom vector; it affects ONLY the choice of superposition vector. If it is negative, the program does not generate any atoms on special positions in stage 4 (useful for some macromolecular problems). resl is the effective resolution in &Aring; as deduced from the reflection data, and is used for setting various tolerances. If the data extend further than the crystal actually diffracted, or if the outer data are incomplete, it may well be worth increasing this number. This parameter can be relatively critical for macromolecular structures. Nsup is the number of unique peaks to be found by searching the superposition function. Zmin is the minimum atomic number to be included as an atom in the crossword table etc. (if this is set too low, the calculation can take appreciably longer). maxat is the maximum number of potential atoms to be included in the crossword table, and can also appreciably affect the time required for PATT.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
vect-help	&& ~VECT X Y Z~ 
<p>A superposition vector (with coordinates taken from the Patterson peak-list) may be input by hand by a VECT instruction, in which case the first two numbers on the PATT instruction are ignored (except for their signs !), and a PATT instruction will be automatically generated if not present in the .ins file. There may be any number of VECT instructions. 
<p>In the unlikely event of a routine PATT run failing to give an acceptable solution, the best approach - after checking the data reduction diagnostics carefully as explained above - is to select several potential heavy-atom to heavy-atom vectors by hand from the Patterson peak-list and specify them on VECT instructions (either in the same job or different jobs according to local circumstances) for use as superposition vectors. The exhaustiveness of the search can also be increased - at a significant cost in computer time - by making the first PATT parameter negative and/or by increasing the value of resl a little. The sign of the second PATT parameter (a negative sign excludes atoms on special positions) and the list of elements which might be present (SFAC/UNIT) should perhaps also be reconsidered.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
plan-help	&& ~PLAN npeaks[20] d1[#] d2[#]~
<p>If npeaks is positive a Fourier peak list is printed and written to the .<i>res</i> file; if it is negative molecule assembly and line printer plots are also performed. Distances involving peaks which are less than r1+r2+d1 (the covalent radii r are defined via SFAC; 1 and 2 refer to the two atoms concerned) are printed and used to define 'molecules' for the line printer plots. Distances involving atoms and/or peaks which are less than r1+r2+|d2| are considered to be 'non-bonded interactions'; however distances in which both atoms are hydrogen or at least one is carbon (recognised by SFAC label 'C') are ignored. These non-bonded interactions are ignored when defining molecules, but the corresponding atoms and distances are included in the line printer output. Thus an atom or peak may appear in more than one map, or more than once on the same map. A table of the appropriate coordinates and symmetry transformations appears at the end
of each molecule.
<p>Negative d2 includes hydrogen atoms in the line printer plots, otherwise they are left out (but included in the distance tables). For the purposes of the PLAN instruction, a hydrogen atom is one with a radius of less than 0.4 &Aring;. Peaks are assigned the radius of SFAC type 1, which is usually set to carbon. Peaks appear on the printout as numbers, but in the .res file they are given names beginning with 'Q' and followed by the same numbers. Peak heights are also written to the .res file (after the sof and dummy U values) in electrons &Aring;<sup>-3</sup>. See also MOLE for forcing molecules (and their environments) to be printed
separately.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
fmap-help	&& ~FMAP code[2] axis[#] nl[53]~
<p>The unique unit of the cell for performing the Fourier calculation is set up automatically unless specified by the user using FMAP and GRID; the value of axis must be non-zero to suppress the automatic selection. The program chooses a 53 x 53 x nl or 103 x 103 x nl grid depending on the resolution of the data. axis is1, 2 or 3 to define the direction perpendicular to the layers. Dispersion corrections are applied (so that the resulting electron density is real) and Friedel opposites are merged after the least-squares refinement and analysis of variance but before calculating the Fourier synthesis. This will improve the map (and bring the maximum and minimum residual density closer to zero) compared with SHELX-76. In addition, since usually all the data are employed, reflections
with&nbsp;&sigma; (<i>F</i>) relatively large compared with <i>F</i><sub>c</sub> are weighted down. This should be better than the use of an arbitrary cutoff on <i>F</i><sub>o</sub>/&sigma;(<i>F</i>). The rms fluctuation of the map relative to the mean density is also calculated; in the case of a difference map this gives an estimate of the 'noise level'
and so may be used to decide whether individual peaks are significant. Usually FMAP 2 is employed to find missing atoms, but if a significant part of the structure is missing, FMAP 5 or 6 may be better. ACTA requires FMAP 2 so that the difference density is on an absolute scale.

<p>If code is made negative, both positive and negative peaks are included in the list, sorted on the absolute value of the peak height. This is intended to be useful for neutron diffraction data.
<dir>
<dir>
<dir><b>code = 2:</b> Difference electron density synthesis with coefficients (<i>F</i><sub>o</sub>-<i>F</i><sub>c</sub>) and phases&nbsp;&phi;(calc).
<p><b>code = 3:</b> Electron density synthesis with coefficients <i>F</i><sub>o</sub> and phases&nbsp;&phi;(calc).

<p><b>code = 4:</b> Electron density synthesis with coefficients (2<i>F</i><sub>o</sub>-<i>F</i><sub>c</sub>) and phases&nbsp;&phi;(calc). <i>F</i>(000) is included in the Fourier summations for code = 3 and 4.
<br>&nbsp;
<br>&nbsp;</dir>
</dir>
</dir>

<b>code = 5: </b>Sim-weighted (2m<i>F</i><sub>o</sub>-<i>F</i><sub>c</sub>) Fourier (Giacovazzo, 1992).
<p><b>code = 6: </b>Sim-weighted (2m<i>F</i><sub>o</sub>-<i>F</i><sub>c</sub>) Fourier with coefficients sharpened by multplying with

<br>(E/F)<sup>1/2</sup>.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
acta-help	&& ~ACTA 2thetafull[#]~
<p>A 'Crystallographic Information File' file <i>name.cif</i> is created in self-defining STAR format. This ASCII file is suitable for data archiving, network transmission, and (with suitable additions) for direct submission for publication. ACTA automatically sets the BOND, FMAP 2, PLAN and LIST 4 instructions, and may not be used with other FMAP or LIST instructions or with a positive OMIT s threshold. A warning message appears if the cell contents on the UNIT instruction are not consistent with the atom list, because they are used to calculate the density etc. which appears in the .<i>cif</i> output file.
<p>2thetafull is used to specify the value of 2&Theta;for which the program calculates the completeness of the data for the CIF output file as required by Acta Crystallographica. If no value is given, the program uses the maximum value of 2&Theta; for the reflection data. If the data were collected to a specific limiting 2&Theta;,or if a limit was imposed using SHEL, this would be a good choice. Otherwise the choice of 2thetafull is a difficult compromise; if it is too low, the paper will be rejected because the resolution of the data is not good enough; if it is higher, the lower completeness might lead to rejection by the automatic Acta rejection software! SHELXL calculates the completeness by counting reflections after merging Friedel opposites and eliminating systematic absences (and the reflection 0,0,0).
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
cgls-help	&& ~CGLS nls[0] nrf[0] nextra[0] maxvec[511]~
<p>As L.S., but the Konnert-Hendrickson conjugate-gradient algorithm is employed instead of the full-matrix approach. Although BLOC may be used with CGLS, in practice it is much better to refine all parameters at once. CGLS is much faster than L.S. for a large number of parameters, and so will be the method of choice for most macromolecular refinements. The convergence properties of CGLS are good in the early stages (especially if there are many restraints), but cannot compete with L.S. in the final stages for structures which are small enough for full-matrix refinement. The major disadvantage of CGLS is that it does not provide estimated standard deviations, so that when a large structure has been refined to convergence using CGLS it may beworth performing a blocked full-matrix refinement (L.S./BLOC) to obtain the standard deviations in quantities of interest (e.g. torsion angles, in which case only xyz blocks would be required).The other parameters have the same meaning as with L.S.; CGLS is entirely suitable for R<sub>free</sub> tests (negative nrf), and since it requires much less memory than L.S. there will rarely be any reason to change maxvec from its default value.
<p>The CGLS algorithm is based closely on the procedure described by Hendrickson &amp; Konnert (1980). The structure-factor derivatives contribute only to the diagonal elements of the least-squares matrix, but all 'additional observational equations' (restraints) contribute in full to diagonal and off-diagonal terms, although neither the l.s. matrix A nor the Jacobean J are ever generated. The preconditioning recommended by Hendrickson &amp; Konnert is used to speed up the convergence of the internal conjugate gradient iterations, and has the additional advantage of preventing the excessive damping of poorly determined parameters characteristic of other conjugate gradient algorithms (Tronrud,1992).

<p>A further refinement in the CGLS approach is to save the parameter shifts from the previous CGLS cycle, and to use them to improve the estimated parameter shifts in the current cycle. Since this is only possible in the second and subsequent cycles, an initial shift multiplier of 0.7 is assumed in the first cycle. If the refinement proves to be unstable, this starting value can be reset using the first DAMP parameter.
<p>In addition to this optimization of the CGLS shift multiplication factor, the individual parameter shifts are monitored each L.S. or CGLS cycle, and the shift multiplication factors are reduced (to a value between 0.5 and 1) for parameters that tend to oscillate. This applies only to refinements in which BLOC is not used. This produces an additional improvement in the convergence of the least-squares refinement, but (unlike Marquardt damping) has no effect on esds.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
l.s.-help	&& ~L.S. nls[0] nrf[0] nextra[0] maxvec[511]~
<p>nls cycles of full-matrix least-squares refinement are performed, followed by a structure factor calculation. When L.S. (or CGLS) is combined with BLOC, each cycle involves refinement of a block of parameters which may be set up differently in different cycles. If no L.S. or CGLS instruction is given, 'L.S. 0' is assumed.
<p>If nrf is positive, it is the number of these cycles that should be performed before applying ANIS. This two-stage refinement is particularly suitable for the early stages of least-squares refinement; experience indicates that it is not advisable to let everything go at once!
<p>Negative nrf indicates which reflections should be ignored during the refinement but used instead for the calculation of free <i>R</i>-factors in the final structure factor summation; for example L.S. 4 -10 would ignore every 10th reflection for refinement purposes. It is desirable to use the same negative value of nrf throughout, so that the values of '<i>R</i>1(free)' and 'w<i>R</i>2(free)' are not biased by the 'memory' of the contribution of these reflections to earlier refinements. These independent <i>R</i>-factors (Br&uuml;nger, 1992) may be used to calibrate the sigmas for the various classes of restraint, and provide a check as to whether the data are being 'over-refined' (primarily a problem for macromolecules with a poor data to parameter ratio). In SHELXL, these ignored reflections are not used for Fourier calculations.
<br>
<br>nrf=-1 selects the <i>R</i><sub>free </sub>reference set that is flagged (with negative batch numbers) in the <i>.hkl</i> file (SHELXPRO may be used to do this). The division of the data into reference and working set is then independent of the space group and the MERG, OMIT and SHEL settings. However on merging reflections, to play safe a reflection is retained in the reference set only if all equivalents have the <i>R</i><sub>free</sub> flag set. Thus if equivalents are present, it is a good idea to use the SHELXPRO option to set the <i>R</i><sub>free</sub> flag in thin shells, so that all equivalents of a particular unique reflection are either all in the reference set or all in the working set. nrf=-1 is the recommended way of applying the <i>R</i><sub>free</sub> test in SHELXL.
<p>nextra is the number of additional parameters which were derived from the data when performing empirical absorption corrections etc. It should be set to 44 for DIFABS [or 34 without the theta correction; Walker &amp; D. Stuart (1983)]. It ensures that the standard deviations and GooF are estimated correctly; they would be underestimated if the number of extra parameters is not specified. nextra is zero (and so can be omitted) if extra information in the form of indexed crystal faces or psi-scan data was used to apply an absorption correction.
<p>maxvec refers to the maximum number of reflections processed simultaneously in the rate-determining calculations. Usually the program msgizes all available memory to process as many reflections as possible simultaneously, subject to a maximum of maxvec, which may not be larger than 511. For complicated reasons involving the handling of suppressed and 'R<sub>free</sub>' reflections and input/output buffering, some blocks may be smaller than the maximum, especially if the facilities for refinement against twinned or powder data are being used. It may be desirable to set maxvec to a smaller number than 511 to prevent unnecessary disk transfers when large structures are refined on virtual memory systems with limited physical memory.
&&
<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	.	.
plop-help	&& ~PLOP followed by up to 10 numbers~
<p>PLOP specifies the number of peaks to start with in each cycle of the <i>peaklist optimization</i> algorithm of Sheldrick & Gould (1995). Peaks are then eliminated one at a time until either the correlation coefficient cannot be increased any more or 50% of the peaks have been eliminated.
<p><b>Note: Olex2 calculates sensible default values based on the cell volume</b>
&&	.	.	.	.	.	.	.	.
mind-help	&& ~MIND mdis [1.0], mdeq [2.2]~
<p>|<i>mdis</i>| is the shortest distance allowed between atoms for PATS and FIND. If <i>mdis</i> is negative <i>PATFOM</i> is calculated, and the <i>crossword</i> table for the best <i>PATFOM</i> value so far is output to the .<i>lst</i> file. In this case the solution is passed on to the PLOP stage if either the CC is the best so far or the <i>PATFOM</i> is the best so far. <i>mdeq</i> is the minimum distance between symmetry equivalents for FIND (for PATS the |<i>mdis</i>| distance is used). Thus the default setting of <i>mdeq</i> prevents FIND from placing atoms on special positions. This is usually desirable because it helps to avoid pseudo-solutions such as the 'uraninum atom solution' that are incorrect but fit the tangent formula, but it might be better to change this setting to -0.1 to allow special positions; especially for the location of heavy atom sites obtained by (halide) soaking. For PLOP the PREJ instruction can be used to control whether peaks on special positions are selected.
&&	.	.	.	.	.	.	.	.
ntry-help	&& ~NTRY ntry [0]~
<p>Number of global tries if starting from random atoms, PATS or GROP. If <i>ntry</i> is zero or absent, the program runs until it is interrupted by writing a <i>name</i>.<i>fin</i> file in the current working directory.
&&	.	.	.	.	.	.	.	.
find-help	&& ~FIND na [0], ncy [#]~
<p>Search for <i>na</i> atoms in <i>ncy</i> dual space cycles. If WEED is employed, <i>na</i> is the number of atoms remaining after the random omit. <i>ncy</i> defaults to the largest of (20 or <i>na</i>) or, if PATS is used, to the smaller of (3<i>na</i> and 20). If FIND is absent, PLOP expands directly from the starting atoms.
<p><b>Note: Olex2 calculates a sensible default value for <i>na</i> based on the cell volume</b>
&&	.	.	.	.	.	.	.	.
dual-space-info	&&Dual Space is a structure solution method&&
<a href='shell http://journals.iucr.org/a/issues/2008/01/00/sc5010/sc5010.pdf'>Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122</a>	.	.	.	.	.	.	.	.
flip-help	&& ~interval[60]~
<p>An integer determining how often the algorithm yields the intermediate results.  Using the default value of 60, the algorithm yields the intermediate results after every 60th iteration.
&&	.	.	.	.	.	.	&& ~interval[60]~<p>这个整数决定了算法生成中间结果的频率。如默认值60说明了算法每重复60次就生成中介结果。	.
setup-title-0	Welcome to the Olex2 Customisation	.	.	.	.	.	.	欢迎定定义Olex2	.
setup-txt-0	The look and feel of Olex2 can be customised in many different ways.&&@Setup@Stepping through these setup steps will set up many of the features you might wish to modify.<lb>This setup can be run at any time, and all these settings can also be set elsewhere in the program.&&	.	.	.	.	.	.	<br><br>Olex2可以通过不同的方法自定义外观等。<p>按照这个设置方案一步步进行下去，您将按照您的喜好修改很多要素。<p>这个设置方案可以在任何时候运行，且所有设置都能在程序的其它地方设定。	.
news-1	The electron density map viewer tool has been updated. The levels shown initially are more sensible, and will show positive and negative regions of the map at the same time.	.	.	.	.	.	.	电子密度图查看器已经更新。这些等级看上去更加合理，并能同时在图中显示正电荷和负电荷区域。	.
news-1-title	Interactive Electron Density Viewer	.	.	.	.	.	.	互交式电子密度查看器	.
news-2	Olex2 now propagates errors for calculations involving any distances and angles.	.	.	.	.	Fehler in der Bestimmung von Abständen, Winkeln und anderen geometrischen Berechnungen werden nun von Olex2 berücksichtigt.	.	Olex2现在能计算各个键长和键角的误差。	.
news-2-title	Errors for Distances and Angles	.	.	.	.	Abweichungen für Abstände und Winkelberechnungen	.	键长键角的误差	.
news-3	When errors occur in Olex2, we would like to know about them. Please use our portal to report any issues you might encounter.	.	.	.	.	Falls Fehler in Olex2 auftreten, würden wir gerne davon wissen. Bitte lassen informieren sie uns über das Portal.	.	欢迎您将在使用Olex2 中发现的任何问题告诉我们。 请通过我们的网站反馈您所碰到的问题。	.
news-3-title	Program Errors	.	.	.	.	Programmfehler	.	程序错误	.
news-4	Olex2 will not work with ShelX executables from WinGX. There is not much we can do about this. Please make sure to place non-WinGX versions of ShelX in the installation directory of Olex2.	.	.	.	.	Olex2 funktioniert nicht mit den ShelX executables von WinGX. Wir können daran leider nichts ändern. Bitte stellen sie sicher, dass sie nicht-WinGX Versionen von ShelX irgendwo auf dem Pfad haben.	.	Olex2不能运行WinGX 版本的ShelX 可执行文件。 我们暂时也无法解决这个问题，请将非WinGX 版本的ShelX 拷贝至Olex2的安装目录。	.
news-4-title	WinGX ShelX Executables	.	.	.	.	WinGX ShelX Executables	.	WinGX版本的ShelX可执行文件	.
setup-title-1	Elements of the GUI	.	.	.	.	.	.	GUI的各个要素	.
setup-txt-1	&&
@Background@
The background of the main Olex2 window (The OpenGL window) has three states:
~White~ (Toggle with F2)
~Solid Colour~ (Toggle with F2)
~Gradient~ (Switch on/off with F4) <a href=grad>Change</a>

@Swap GUI Panel@
The main GUI panel is displayed on the right of the Olex2 window. This panel can be moved to the left:
~Swap Panel~<a href='htmlpanelswap'>now</a>

@Tooltips@
When placing the mouse over any link in the main GUI panel, a 'Tooltip' will appear if this functionality is switched on. Tooltips can be a good idea when learning how to run Olex2, but might be a bit of a distraction later on.
~Switch Tooltips~ <a href="html.tooltips true">ON</a>/<a href="html.tooltips false">OFF</a>

@Help on Typing@
When typing in the command line, a window listing all the commands starting with the typed letters will appear if this functionality is switched on.
~Switch Help~ <a href="showwindow help true">ON</a>/<a href="showwindow help false">OFF</a>
&&	.	.	.	.	.	.	.	.
setup-title-2	Fonts	.	.	.	.	.	.	字体	.
setup-txt-2	The fonts used in the OpenGL window Olex2 (the main window, where the molecule is displayed) are OpenGL objects. You can choose to use a builtin Olex2 font, or you can opt for any font that is available on your system.
To set the colour of the font, you need to adjust the OpenGL properties of the 'material', out of which the characters of the font are made. Typically, changing the first and second coloured box in the dialoge will be sufficient.

&&
@Console@
Console text consists of various parts
~Console~ Text entered by the user
<a href="SetFont Default ChooseFont(olex2)">Olex Font</a> | <a href="SetFont Default ChooseFont()">System Font</a> | <a href="EditMaterial Console">Colour</a>

~Errors~ Error messages returned by Olex2
<a href="EditMaterial error">Colour</a>

~External Program~ Output created by external programs
<a href="EditMaterial execout">Colour</a>

~Exceptions~ Olex2 Exceptions
<a href="EditMaterial exception">Colour</a>

~helpcmd~
<a href="EditMaterial helpcmd">Colour</a>

~helptxt~
<a href="SetFont Help ChooseFont(olex2)">Olex Font</a> | <a href="SetFont Help ChooseFont()">System Font</a> | <a href="EditMaterial helptxt">Colour</a>

@Labels@
Labels on atoms. These can be simply the atom name, but many different properties of the atoms can be displayed
~Labels~
<a href="SetFont Labels ChooseFont(olex2)">Font</a> | <a href="SetFont Labels ChooseFont(GetFont(Labels))">System Font</a> | <a href="EditMaterial Labels">Colour</a>
&&	.	.	.	.	.	.	.	.
setup-title-4	Skins	.	.	.	.	.	.	皮肤	.
setup-txt-4	The overall look and feel of Olex2 can be set by making use of themes, also called skins.<p>
$spy.AvailableSkins()<hr>
You can also customise the look of your current installation using the <a href='config>>html.reload setup-box'><b>Configuration Tool</b></a>.  Please note that your customisation will be lost when you reload the skin that you have customised.	.	.	.	.	.	.	皮肤，即整个Olex2的外观风格设置所用的主题。<p>$spy.AvailableSkins()<hr>您也可以修改当前您已安装的皮肤－<a href='config>>html.reload setup-box'><b>设置工具</b></a>. 请注意，在您重新载入皮肤后，已做的修改将被丢失。	.
setup-title-3	Plugins	.	.	.	.	.	.	插件	.
setup-txt-3	The functionality of Olex2 can be extended by Olex2 Plugins. Available Plugins are listed below and already installed plugins are highlighted.$spy.AvailablePlugins()	.	.	.	.	.	.	Olex2插件将扩展Olex2的已有功能。提供的插件如下所示。已经安装好的将被高亮显示。$spy.AvailablePlugins()	.
setup-title-5	External Programs	.	.	.	.	.	.	外部程序	.
setup-txt-5	You may wish to use external programs from within Olex2.

 Olex2 will find any relevant program either because it is on the <b>system
 path</b> of your computer or because you have put it into the base directory
 of your <a href='exec -o getvar(defexplorer) $BaseDir()'>Olex2 Program Directory</a>.  
 The following programs are currently 'known' to exist:
&&
~SADABS (Bruker Only)~
$file.which(SADABS.exe)

~XP (Bruker Only)~
$file.which(shelxp.exe)
$file.which(xp.exe)

~ShelXS~
$file.which(shelxs.exe)

~XS (Bruker Version)~
$file.which(xs.exe)

~ShelXD~
$file.which(shelxd.exe)

~XM (Bruker Version)~
$file.which(xm.exe)

~ShelXL~
$file.which(shelxl.exe)

~XL (Bruker Version)~
$file.which(xl.exe)
&&	.	.	.	.	.	.	您也许需要在Olex2中使用外部程序。Olex2将找到任何相关联的程序，如果程序位于您的计算机的<b>系统路径</b> 中，或者您将其放在<a href='exec -o getvar(defexplorer) $BaseDir()'>Olex2程序主目录下</a>.已知的程序如下所示：&& ~SADABS~ $file.which(SADABS.exe)  ~XP~ $file.which(shelxp.exe) $file.which(xp.exe)  ~ShelXS~ $file.which(shelxs.exe)  ~XS (Bruker)~ $file.which(xs.exe)  ~ShelXL~ $file.which(shelxl.exe)  ~XL (Bruker)~ $file.which(xl.exe) &&	.
setup-title-6	Automatic Updates	.	.	.	.	.	.	自动更新	.
setup-txt-6	Olex2 is under active development. Many new features are constantly added and the whole GUI and workflow design is under constant flux. We therefore recommend to leave the automatic updates switched on. Every time Olex2 starts, it checks on our server whether there are any updates and will proceed to download and install them automatically in the background. Changes will be effective on the next restart.	.	.	.	.	.	.	Olex2仍在开发中。很多新的特性将被不断的加入进来，但整个GUI和工作流程设计不会有大的变动。因此，我们建议将自动更新打开。这样每次启动Olex2都将检查我们服务器，如果有更新，则将自动下载和安装。更新后并不需要重新启动Olex2，很多更新都是一些很小的文件。<br>目前，我们保持两个版本的更新。一个是<br><br><b>http://www.dimas.dur.ac.uk/olex-distro</b><br>另一个是<br><b>http://www.dimas.dur.ac.uk/olex-distro-test</b><br><br>Test服务器为最新的更新，另一个为大约一个月前的更新。<hr>如果您想改变更新设置，请在程序顶端菜单栏中选择<br><br><b>Help>Update Options</b><br><br>。如果需要的话，您可以在此设置您的<b>proxy settings</br>。	.
setup-title-7	Setup 7	.	.	.	.	.	.	Setup 7	.
setup-txt-7	Setup 7 Txt	.	.	.	.	.	.	Setup 7 Txt	.
history-help	Every step along the process of structure solution and refinement is automatically databased within Olex2 - the 'History'.<br>Every time a structure is solved, a new history branch is created. Using the drop-down menu, the latest structure stored in the selected branch will automatically be loaded. It is possible to delete and rename branches.	.	.	.	.	.	.	在Olex2中进行的每一步结构解析和精修都被自动保持在数据库中－'历史'。每当解析结构一次，新的历史组将被创建。使用下拉菜单选择历史组后，此次解析的最新的结构将被自动载入。历史组能被命名和删除	.
exclude-hkl-help	Conditions for reflections to be excluded can be set here
&&
@Standard Mode (OR)@
This will exclude all reflections where h, k, and l fulfill the conditions you specify <i>independently</i>
@AND Mode@
When the 'AND' tickbox is ticked, the conditions you specify for h, k and l have to be fulfilled simultanesoulsy in the same reflection
&&	.	.	.	.	.	.	在此能选择排除衍射点的条件&&@标准模式 (OR)@这将所有h、k或l能<i>单独</i>符合您指定条件的衍射点排除在外@逻辑和模式@当‘逻辑和’选项框被勾上后，只有h、k和l同时都满足条件的衍射点才被排除在外&&	.
reflection-statistics-help	Currently there is only the Wilson Plot available here.	.	.	.	.	.	.	目前只能提供Wilson Plot统计图。	.
AFIX-use-help	&&
~m = 5~
Regular pentagon
~m = 6~
Regular hexagon
~m = 10~
Idealized pentamethylcyclopentadienyl (Cp*)
~m = 11~
Idealized naphthalene group
~No atoms selected~
Olex2 will automatically search for all occurrences of the selected group in the structure and set the appropriate instructions.
~One Atom Selected~
The selected atom will be set as the pivot atom of a new rigid group.
~More than one atom selected~
Select 5, 6, 10 or 10 atoms respectively for m = 5, 6, 10 or 11 and the selected atoms will form a new rigid group.
&&	.	.	.	.	.	.	&&~m = 5~正五边形~m = 6~正六边形~m = 10~理想的五甲基环戊二烯基(Cp*)~m = 11~理想的萘环~没有选择原子~Olex2将自动搜索结构中存在的已选择刚性基团，并加上适当的命令。~已选一个原子~已选的原子将作为新刚性基团的中心原子。~已选多个原子~选择5，6，10或11个原子将分别对应m = 5，6，10或11，并且已选的原子将组成新的刚性基团。&&	.
AFIX-help	&&~AFIX mn d[#] sof[11] U[10.08]~AFIX applies constraints and/or generates idealized coordinates for  all  atoms until the next AFIX instruction is read.  The digits mn of the AFIX code control two  logically quite separate operations.  Although this is confusing for new users, it has been retained for upwards compatibility with SHELX-76, and because it provides a very concise notation.  m refers to geometrical operations which are performed before the first refinement cycle (hydrogen atoms are idealized before every cycle), and n sets up constraints which are applied throughout the least-squares refinement.  n is always a single digit; m may be two, one or zero digits (the last corresponds to m = 0).&&<a href='shell http://shelx.uni-ac.gwdg.de/SHELX/shelx.pdf'>ShelX-97 Manual</a>	.	.	.	.	.	.	英语	.
news-5	Olex2 now has full support for all Shelx AFIX commands.  See <b>Tools > Shelx Constraints</b>	.	.	.	.	Olex2 now has full support for all Shelx AFIX commands.  See <b>Tools > Shelx Constraints</b>	.	Olex2现在能全面支持Shelx所有的AFIX 模式。  详情请见  <b>工具 Shelx Constraints</b>	.
news-5-title	Full AFIX Support	.	.	.	.	Volle AFIX Unterstützung	.	全面的AFIX支持	.
news-6	<b>
<font size=+1 color='#ff7800'>&raquo;</font>
<a href='shell http://www.x-rayman.co.uk/xforum/viewforum.php?f=122'>
John Warren's Olex2 xForum</a>
</b>
<br>

<font size=+1 color='#ff7800'>&raquo;</font>
<a href='shell http://www.olexsys.org/olex2/documentation'>
Searchable Manual and How-to's</a>

<br>

<font size=+1 color='#ff7800'>&raquo;</font>
<a href='shell http://www.olexsys.org/olex2/files/olex2-paper-reprint'>
Olex2 paper published in <i>J. Appl. Cryst.</i></a>

<br>

<font size=+1 color='#ff7800'>&raquo;</font>
<a href='shell http://www.olexsys.org/olex2/olex2-bugs'>
Bug reports and Frequently Asked Questions</a>	.	.	.	.	<b><font size=+1 color='#ff7800'>»</font> <a href='shell http://www.olex2.org/content/folder-help/Olex2-Ilia.pdf/view'>Ilia Guzei's Olex2 Manual</a><br></b><font size=+1 color='#ff7800'>»</font> <a href='shell http://www.olex2.org/content/npsFC0C.pdf'>Olex2 paper published in <i>J. Appl. Cryst.</i></a><br><font size=+1 color='#ff7800'>»</font> <a href='shell http://www.olex2.org/content/olex2-bugs'>Bug reports and Frequently Asked Questions</a><br><font size=+1 color='#ff7800'>»</font> <a href='shell http://www.olex2.org/news/ati-graphics-card-problem'>Problems with ATI Radeon graphics cards</a><br></b>	.	<b> <font size=+1 color='#ff7800'>»</font>  <a href='shell http://www.olex2.org/content/folder-help/Olex2-Ilia.pdf/view'> Ilia Guzei's Olex2 Manual </a><br> </b><font size=+1 color='#ff7800'>»</font>  <a href='shell http://www.olex2.org/content/npsFC0C.pdf'> Olex2 paper published in <i>J. Appl. Cryst.</i> </a><br> <font size=+1 color='#ff7800'>»</font>  <a href='shell http://www.olex2.org/content/olex2-bugs'> 错误报告和常见问题 </a><br> <font size=+1 color='#ff7800'>»</font>  <a href='shell http://www.olex2.org/news/ati-graphics-card-problem'>ATI Radeon图形卡问题 </a><br> </b>	.
news-6-title	www.olex2.org	.	.	.	.	.	.	www.olex2.org	.
expand-short-contacts-help	&&Move the slider to adjust the threshold for short contacts to be displayed. 
Alternatively, you can add the required value in the text box.
<br>
<b>Note:</b> the value has to be between 0.9 and 1.7 Angstrom. 
Short inter and intramolecular distances will be displayed. 
If there are intermolecular interactions within the given threshold, 
clicking on these bonds will expand the missing symmetry equivalent part.&&	.	.	.	.	.	.	&&移动滑条调节短程相互作用显示的阈值。您也可以将所需要的数值填入文本框内。<br><b>注意:</b> 此数值必须在0.9到1.7埃内，这样短程的分子内和分子间距离将显示出来。如果在给定的阈值内有分子间相互作用，请点击那些键以扩展出对称性等同的部分。&&	.
edit-atom-help	Sometimes you may want to edit your structure using a text-based representation of your current structure model. Olex will generate such a file on request and display it in its own text editor, where you can make changes to the model. The default output format is the ShelX format, because many users are familiar with this representation of a structure model.&&@Edit Atom(s)@If you have no atoms selected, all atoms in your structure will be included, otherwise only those atoms, that are currently selected, will appear in the text. This is particularly useful if you are working on a big structure. <font color='red'>Atoms will be shown with <b>all</a> their dependencies: attached hydrogen atoms, constraints and restraints are all displayed in the top of the window. </font>XX editatom XX@Edit Instructions@Shows only the 'instruction' part of the model - these are the instructions that will be taken into account by the refinement engine on the next refinement cycle.XX editins XX&&	.	.	.	.	.	.	有时您可能想用文本编辑模式修改当前结构。因此Olex2会生成类似文件，并通过自带的文本编辑器您可以对模型进行编辑。 默认的输入格式为Shelx格式，因为毕竟大多数用户对此格式很熟悉。&& @编辑原子@ 如果您没有选择原子，那将显示结构中的所有原子，否则仅显示已选原子。  这对精修尤其是精修大型结构有着很大的帮助。 <font color='red'> 原子的 <b>所有</a> 属性都将显示在窗口的上端，如键联的氢原子，系统规定参数和限制性参数  </font> XX 编辑原子 XX  @编辑命令@ 仅显示模型精修的命令部分－这些命令将应用于下一轮的精修中。  XX 编辑INS XX  &&	.
model-disorder-help	&&~Split Atoms~Select how you would like to constrain/restrain the atoms in question (or select the blank, if you don't want to constrain/restrain them),  then click on those atoms you would like to 'split'. Move the newly 'generated' atoms to where you would like them to be (by holding the SHIFT key while clicking on them).~Move Hydrogen Atoms~This tool can also be used to move Hydrogen atoms to a position inidcated by the presence of residual electron density. Left click on the atom while pressing the SHIFT key - and you can move any atom where you would like it to be. Any constraints and restraints applied to that atom will still apply.<lb>When you are done, press the ESC key.&&	.	.	.	.	.	.	&& 点击此链接，再点击您想‘分裂’的原子。移动新‘生成’的原子到您所认可的位置上（按住Shift键的同时点击要移动的原子）然后进行精修。<lb> 此工具也能用于把氢原子移动到有残余电子密度处。在按住Shift键的同时，用鼠标左键点击原子－您能将任何原子移动到您认可的位置上。所有系统规定参数和限制性参数都仍会应用新原子上。 &&	.
Electron-Density-Peak-Slider-help	&& ~Electron Density Peak Slider~Move the slider to the left to filter out strongest peaks first, or to the right to filter out weakest peaks first. You can then do things like <b>name $Q C</b> - and this will only apply to the currently visible peaks. The same goes for the <b>Select</b> and <b>Delete</b> buttons.TT 3D_view_tutorial,Electron-Density-Peak-Slider-help TT&&	.	.	.	.	.	.	&& 移动滑条到左边将先滤除最高的电子云密度残余峰，而将滑条移动到右边能先滤除最低的电子云密度残余峰。然后您可以使用其它功能如‘name $Q C’等。&&	.
quick-drawing-style-help	&&If one or more atoms are selected, these preset display styles will be applied to the selected atoms. If there is no selection all atoms will be displayed in the new style.&&	.	.	.	.	.	.	&&如果一个或多个原子被选定了，那么这些已设定的显示模式将被应用于这些已选原子上。如果没有选择原子，那这些显示模式将应用于所有原子上。&&	.
Match-Naming-help	If you have a structure with two or more matching moieties, you only need to name <b>one</b> of these. Olex2 will then match this naming scheme to the other molecule.This is important in structures with Z' larger than 1 and also in structures where a metal is coordinated to more than one ligand of the same type. In this case you will need to set the maximum number of bonds for the central metal ion to 0 (right-click, then Bonds).&&Select <b>any one</b> atom of the correctly named molecule, and then select <b>any one</b> atom of the other molecule. Enter a suffix character into the box, then click the link.This will transfer the naming scheme of the first molecule to the second molecule with the suffix letter you have chosen.XX match sel -n=<i>suffix</i> XX<br>Instead of merely adding a suffix, you can also <b>replace</b> the first character of the original naming scheme with another character. This is useful, for example, if you wish to name all atoms in one ligand like C<b>1</b>01, C<b>1</b>02, C<b>1</b>02 ... and corresponding atoms in the other ligand like C<b>2</b>01, C<b>2</b>02, C<b>2</b>03 ... This is achieved by:XX match sel -n=<b>&#36;</b><i>suffix</i> XXEqually, the <b>last</b> character of an atom name can be replaced:XX match sel -n=<b>-</b><i>suffix</i> XXThere is no gui for these replacements, you will have to type the lines above from the command line.&&	.	.	.	.	.	.	.	.
OlexID	English	French	Arabic	Russian	Japanese	German	Spanish	Chinese	Greek
Quicktools-help	This line contains a number of shortcuts to commonly used functions.&&~<zimg border='0' src='toolbar-qc.png'> Change Peaks to Carbon~This tool will change all visible electron density peaks to Carbon atoms, regardless of the peak height.XX name &#36;C XX~<zimg  border='0' src='toolbar-tidy.png'> Tidy the Structure~This tool will tidy your structure.XX clean XX~<zimg  border='0' src='toolbar-ok.png'> Set Formula to what is on screen now~Once the structure on the screen is finished, you can 'synchronise' the formula contained in the files with that on the screen.XX fixUnit XX~<zimg border='0' src='toolbar-killh.png'> Delete all Hydrogen atoms~Deletes all Hydrogen atoms from your structure.XX kill &#36;H XX~<zimg border='0' src='toolbar-q.png'> Show or Hide Denisty Peaks~Toggle between three states: Show electron density peaks, show them with bonds, hide them.XX showQ XX~<zimg border='0' src='toolbar-h.png'> Show or Hide Hydrogen Atoms~Toggle between three states: Show Hydrogen atoms, show them with inernal Hydrogen bonds, hide them.XX showH XX&&	.	.	.	.	.	.	.	.
pack-radius-help	&&
Move the slider to adjust the radius around the original molecule where symmetry equivalent molecules should be shown.
&&	.	.	.	.	.	.	&&移动滑条调节以原始分子为中心显示对称性等同分子的半径范围。&&	.
sorting-help	For a text-based representation of a structrue model, it might be desirable to sortthe atom list by certain criteria. In order to access the full range of sorting options, command-line sorting needs to be used (see below).&&@Sorting from the GUI@~Mass & Label~ The atom list will be sorted by atomic mass, then by atom label.<br>~Atom Label~ The atom list will be sorted by atom label alone.<br>~Atomic Mass~ The atom list will be sorted by atomic mass alone.<br><br>~Moiety~ The sorted list (see above) can then be split such that chemical moietiesstay together in blocks.@Sorting by Command Line@<br>~Atom sort arguments~:<br><b>m</b> - atomic weight<br><b>l</b> - label, considering numbers<br><b>p</b> - part, 0 is first followed by all positive parts in ascending order and then negative ones<br><b>h</b> - to treat hydrogen atoms independent of the pivot atom.<br><br>~Moiety sort arguments:~<b>s</b> - by size<br><b>h</b> - by heaviest atom<br><b>m</b> - by molecular weight<br>~Usage:~ <br>XX sort [+atom_sort_type] XXorXX sort [Atoms] [moiety [+moety sort type] [moiety atoms]] XX<br>If just 'moiety' is provided - the atoms will be split into the moieties without sorting.<br>~Example~XX sort +ml F2 F1 moiety +s XX- will sort atoms by atomic weight and label, put F1after F2 and form moieties sorted by size. Note that when sorting atoms, anysubsequent sort type operates inside the groups created by the preceeding sorttypes.TT sorting_tutorial,sorting-help TT&&	.	.	.	.	.	.	.	.
Quick-Drawing-Styles-help	This tool allows you to quickly select from a number of preset drawing styles. If no atoms are selected, then the new style will apply to <b>all</b> atoms, otherwise it will apply only to the current selection.&&~Balls & Sticks~Atoms are shown as spheres. The size of the sphere depends on the radiusof the atom type represented by the sphere.XX pers XX~Ellipsoids~Aniosotropic atoms are shown as ellipsoids. Isotropic atoms are shown as spheres, who'se size depends on the value of the U<sub>iso</sub> of the individual atom represented by the sphere.XX telp n XXwhere default n = 50%~Wireframe~The structure is shwon as a wireframeXX proj XX~Sphere Packing~Atoms are represented as space-filling spheresXX sfil XX~Tubes~Atoms are represented as connected tubesXX tubes XX~Default Style~All display settings are reset to the default valuesXX default XX~Polyhedra~Shows the structure in a polyhedral representationXX mask atoms 37 XX &&	.	.	.	.	.	.	此工具能快速选择已有的绘图风格。如果没有选定原子，那新的风格将应用与 <b>所有</b> 原子，否则只是应用于当前已选原子。 &&  ~球棍型~ 原子被显示为球形，球的半径决定于原子种类。 XX pers XX  ~椭球型~ 各向异性原子显示为椭球体，各向同性原子仍显示为球形，球体的大小决定于每个原子的U<sub>iso</sub>值。 XX telp n XX 默认值为 n = 50%  ~线框型~ 用线框型风格显示结构。 XX proj XX  ~球型堆积~ 原子显示为球型空间堆积模式。 XX sfil XX  ~管型~ 用相连接的管来显示原子。XX tubes XX   ~默认风格~ 所有显示风格将被重置为默认值。 XX default XX    &&	.
hydrogen-atoms-target	Tools for dealing with Hydrogen Atoms&#013;- Show/Hide Hydrogen Labels&#013;- HIMP equivalent&#013;- Add Hydrogen atoms geometrically&#013;- Automatically place Hydrogen atoms	.	.	.	.	.	.	氢原子处理工具&#013; - 显示/隐藏氢原子标签&#013; - HIMP 等同&#013; - 几何加氢&#013; - 自动摆放氢原子	.
mpln-target	Calculate the mean plane of the current selection	.	.	.	.	Gemittelte Ebene Berechnen	.	计算当前所选的平均平面。	.
line-target	Calculate a best line through the current selection	.	.	.	.	Calculate a best line through the current selection	.	计算通过当前所选目标的最佳连线。	.
sel-target	Print geometric information on the current selection	.	.	.	.	Geometrische Information der aktuellen Auswahl ausdrucken	.	显示当前所选的几何信息。	.
esd-refine-target	Executes a refinement, if this is required to obtain esd's of geometric parameters.	.	.	.	.	Eine Verfeinerung Ausführen, sodass Informationen zu den e.s.d gespeichert werden können	.	如果需要获得几何参数的估计标准偏差，请精修一次。	.
esd-target	Returns geometric parameters with esd's	.	.	.	.	Geometrische Parameter mit e.s.d ausdrucken	.	返回几何参数及其估计标准偏差。	.
anis-target	Make selected atoms anisotropic. If no atoms are selected, all atoms will be transformed	.	.	.	.	Make selected atoms anisotropic. If no atoms are selected, all atoms will be transformed	.	对已选原子做各向异性处理。如果没有选定原子，则所有原子做各向异性处理。	.
disorder-link-selected-help	When an atom is found in more than one site in the structure, this atom is said to be disordered. Of course, there is only ONE atom which occupies either one or the other site. So, each of the two sites has an 'occupancy' - a fraction - telling us what  statistical percentage of the atom resides in that particular site. Since there is one atom in total, these occupancies need to add up to 1 (or 100%%).&&~Occupancies~Clicking this link will make sure that the occupancies of all atoms in the first half of the selection (in the order in which they were clicked) and all atoms in the second half of the selection add up to 100%.XX fvar sel XX~Parts & Occupancies~Same as above, plus the first half of the selection will be assigned to one 'part' and the second half of the selection to another part. No bonds will be drawn between atoms belonging to different parts. XX part -p=2 lo sel XX&&	.	.	.	.	.	.	当结构中一原子出现在多个位置上，那么此原子被认为是无序。当然，在此是指一个原子出现在这个或那个位置上。 所以，此两个位置上都有一个为分数的占有率参数来说明原子在特定位置上出现的统计学几率。因为这实际上总计为一个原子，所以占有率之和应该为1(或 100%)。  &&  ~占有率~ 点击此链接能确认所选的前半部分的原子占有率与后半部分原子的占有率之和为100%。 XX fvar sel XX  ~组 & 占有率~ 与上述相同，但增加使前半部分所选原子将被指定为一组，而第二部分所选原子将指定为另一组。 在两组不同原子间是不会成键。 XX part -p=2 lo sel XX &&	.
disorder-link-constraints-help	When modelling disorder, it is often a good idea to make sure that the disordered partlially occupied atoms 'behave' in the refinement. It is oftne necessary to apply constraints and/or restraints in the early stages of modelling disorder.&&~EADP~This will do everything that 'Parts & Occupancies' above does, plus the disordered parts will be constraint such that their ADPs will be the same (See l[EADP,EADP,help]).~ISOR~Same as above, except the ADPs will be restraint with l[ISOR,ISOR,help].&&	.	.	.	.	.	.	当模型无序化时，常常需要在精修中确认部分占有的无序原子‘表现行为’。这就有必要在模型无序化的初期阶段加入规定参数和/或限制性参数。 &&  ~EADP~ 与‘组 & 占有率’相似，增加了将无序组之间的ADP限制相同数值。(参见 l[EADP]).  ~ISOR~ 除将ADP用l[ISOR]限制为，与上述相似。 &&	.
disorder-show-parts-help	This tool allows you to show selected parts of of your struture.

&&

~ShowP~
XX showP 0 1 XX Will show part 0 and part 1
XX showP 1 2 XX Will show part 1 and part 2
XX showP XX Will show all parts

&&	.	.	.	.	.	.	此工具按您的选择显示结构的不同组（part）。&&  ~ShowP~ XX showP 0 1 XX 将显示第0组和第1组 XX showP 1 2 XX 将显示第1组和第2组 XX showP XX 将显示所有组 &&	.
calculate-voids-help	&&  ~Calculate Voids~This tool will calculate void space in your structure.XXcalcvoidXX  &&	.	.	.	.	.	.	此工具将计算结构中的空隙空间。  &&  @查看@ ~表面~ ~线条~  XX calcvoid XX  @等级@   &&	.
help-target	Olex2 keeps track of everything &#013;that happened to your structure. &#013;Here you can go back to a previous state.	.	.	.	.	.	.	Olex2会保存在结构上的所有的改变。 &#013; 在此您可以回到先前的状态。	.
history-target	Olex2 keeps track of everything &#013;that happened to your structure. &#013;- Go back to a previous state &#013;- Select a previous solution &#013;- Rename a previous solution tree	.	.	.	.	.	.	Olex2会保存在结构上的所有的改变。 &#013; 在此您可以回到先前的状态。 &#013; - 选择先前的解析历史组&#013; - 重命名先前的解析历史组	.
toolbox-target	A collection of useful tools. &#013;- Make all peaks Carbon&#013;- Move Atoms&#013;- Show/Hide Peaks&#013;- Expand Short Contacts&#013;- Peak Slider	.	.	.	.	.	.	此为一些很有用的工具集合。 &#013; - 所有峰定为碳&#013; - 移动原子&#013; - 显示/隐藏电子云密度峰&#013; - 扩展短程相互作用&#013; - 电子云密度峰滑条	.
select-target	Tools for selecting particular atoms &#013;in your structure e.g.:&#013;- Previous Selection&#013;- Invert Selection&#013;- Select Rings	.	.	.	.	.	.	在您的结构中选择特定原子的工具 &#013;例如:&#013; - 上一次选择&#013; - 反选&#013; - 选择环	.
sucrose-introduction-tutorial	.	.	.	.	.	.	.	.	.
sucrose-space-group-tutorial	.	.	.	.	.	.	.	.	.
naming-target	Tools for naming atoms.&#013;- Choose atom number&#013;- Add suffix to atom name&#013;- Change atom type	.	.	.	.	.	.	原子命名工具。&#013; - 选择原子序号&#013; - 对原子名称加后缀&#013; - 改变原子种类	.
sucrose-solve-tutorial	.	.	.	.	.	.	.	.	.
sucrose-assign-tutorial	.	.	.	.	.	.	.	.	.
sucrose-refine-tutorial	.	.	.	.	.	.	.	.	.
sorting-target	Sorts the textual representation of your structure&#013;- By atomic mass and label&#013;- By label&#013;- Splits your list in moieties	.	.	.	.	.	.	整理结构的文本模式显示。&#013; - 按照原子量和元素符号&#013; - 按照元素符号&#013; - 按照不同组	.
quick-drawing-styles-target	Quickly access preset drawing styles&#013;- Balls & Sticks&#013;- Ellipsoids&#013;- Wireframe&#013;- Sphere Packing&#013;- Tubes	.	.	.	.	.	.	快速绘图风格&#013; - 球棍型&#013; - 椭球型&#013; - 线框型&#013; - 球型堆积&#013; - 管型	.
geometry-target	Obtain measurements on your structure&#013;- Mean Plane&#013;- Best Line&#013;- Distances and Angles&#013;- ESD's	.	.	.	.	.	.	结构中的测量工具&#013; - 平均平面&#013; - 最佳连线&#013; - 距离和角度&#013; - 估计标准偏差	.
olex2-home-target	Go to the Olex2 start page	.	.	.	.	.	.	回到OLex2起始页	.
editins-target	Edit the instructions for your structure&#013;Only the instructions will be shown,&#013;not the atoms!	.	.	.	.	.	.	.	.
editatom-target	Edit atoms in a textual representation.&#013;- Selected atoms, if any are selected&#013;- All atoms, if none are selected	.	.	.	.	.	.	通过文本模式编辑原子。&#013; - 已选原子（如果已经选择部分原子）&#013; - 所有原子（如果没有选择原子）	.
dire-target	Open the directory of the current structure.&#013;- or type 'dire'	.	.	.	.	.	.	打开当前结构所在目录。&#013; - 或输入‘dire’	.
consoletext-target	Displays the contents of the console in a text editor.&#013;- type 'text'	.	.	.	.	.	.	通过文本编辑器显示控制台的内容。&#013; - 输入‘text’	.
snuminfo-target	Expand the information on this structure.	.	.	.	.	.	.	详述当前结构信息。	.
tip-1	t^Selecting Multiple Atoms^tMultiple atoms can be selected by clicking on more than one atom in turn. You can also draw a rectangle around atoms by hoding the Shift-key while dragging the mouse with the left mouse button pressed.	.	.	.	.	t^Mehrere Atome gleichzeitig anwählen^tKlicken Sie einfach nacheinander auf alle Atome, die sie in ihrer Auswahl haben wollen. Sie können auch mit gedrückter <<SHIFT>> Taste mit der linken Maus ein Rechteck um die auszuwählenden Atome ziehen.	.	t^选择多个原子^t 您可以通过依次点击多个原子来选择它们。  您也可按住<<SHIFT>>键，用鼠标左键画出一个矩形框来选择框内 的原子。	.
tip-2	t^Return to Previous Selection^t&nbsp;To select the same atoms that you had selected previously, typeXX selback XXn^Once you save your file, refine, l[FMOL,FMOL,help] or l[FUSE,FUSE,help] your structure, the information about the previous selection will be lost.^n	.	.	.	.	t^Zur vorangegangenen Auswahl zurückkehren^tWenn Sie die Auswahl, die sie eben erst gehabt haben, wieder anwählen wollen, so können Sie dies einfach mit foolgendem Kommando tun:XX selback XXn^Nach einer Verfeinerung, Speicherung, l[FMOL,FMOL,help] oder l[FUSE,FUSE,help]  Ihrer Struktur, steht die vorangegangene Auswahl nicht mehr zur Verfügung.^n	.	t^回到先前的选择^t&nbsp; 如果要选择您先前选择的同一个原子，请输入 XX selback XX	.
tip-3	t^Tooltips^tClick <a href='html.Tooltips True'>here</a> to switch tooltips on. You can switch them off under 'Settings'.<br>Items that do not have a tooltip (yet) will display the command that will be carried out when clicking on them. For example, the link in the fist line of this tip of the day does not have a tooltip - see what happens when you hover over it!XX html.Tooltips {True/False} XXIf no argument is supplied, tooltips will be toggled.	.	.	.	.	.	.	t^工具提示^t 点击 <a href='html.Tooltips True'>此处</a> 打开工具提示。您可以在‘设置’中关闭工具提示。<br> 没有工具提示的项目将在点击时显示所执行的命令。例如，在每天提示的第一行链接是没有工具提示的。－把鼠标停留在链接上后，请观察变化！ XX html.Tooltips {True/False} XX 如果没有提供参数，工具提示将被关闭。	.
tip-4	t^Lines of Text^tThe number of lines of text in the main window can be controlledXX lines 5 XXThis will show 5 lines of text in the main window. If you want to see all lines, typeXX lines -1 XXIt is also possible to hide the structure and the text in turn with <<Ctrl+t>>.	.	.	.	.	t^Sichtbare Zeilen^tDie Anzahl der Textzeilen, die in der Konsole angezeigt werden, kann so eingestellt werdenXX lines 5 XXFünf Zeilen werden im Hauptfenster sichtbar sein. Wenn alle Zeilen angezeigt werden sollen, so tippen sie:XX lines -1 XXSie können die Struktur auch ganz verstecken, den Text ganz verstecken oder beide  gleichzeitig anzeigen indem Sie <<Ctrl+t>> wiederholt drücken.	.	t^文本行数^t 在主窗口显示的文本行数是可以调节的。 XX lines 5 XX 这将在主窗口中显示五行文本。如果您想查看所有文本行，请输入 XX lines -1 XX 。通过Ctrl+t来切换结构和文本显示模式。	.
tip-5	t^Rotate the Structure^tLeft-click anywhere on the <i>background</i> of the main window and move the mouse. This will rotate the structure on the screen. (Note: A left-click on an atom or a bond will select the item under the mouse, and not rotate the structure!)<br>To Rotate the Structure around an axis <b>perpendicular to the screen</b>, hold down the Ctrl Key while moving the mouse on the background with the left-mouse button pressed.<br>t^To zoom the structure^t, keep the right mouse button pressed anywhere on the background and move the mouse.	.	.	.	.	.	.	t^旋转结构^t 在主窗口 <i>背景<i> 的任何位置按住鼠标左键不放，再移动鼠标即可在屏幕内旋转结构。(注意: 如果是左键点击原子或键将为选择功能，并不会旋转结构)<br> 如果要围绕 <b>垂直于屏幕</b> 的轴旋转结构，请按住Ctrl键并同时在背景处按住鼠标左键，然后移动鼠标即可。<br> t^在背景任何位置按住鼠标右键，并移动鼠标即可缩放结构视图。	.
tip-6	t^Backgrounds^tThe background of the structure window can be customised in the following ways:<br>F4 will toggle the graduated background on and off. The colour of this background can be set by:XX grad XXF2 will switch between white and a coloured background. To set the colour of the background (as well as many other settings): right-click on the background > Draw Styles > Scene Settings.	.	.	.	.	.	.	t^背景^t 结构显示窗口的背景可以通过如下方法进行定制<br> 按F4将开关梯度背景显示。此时背景颜色通过: XX grad XX设置。按F2将切换白色和彩色背景。设置背景颜色(和其它设置一样): 在背景处点击右键 > 绘画风格 > 背景设置。	.
sort_ml-msg	Atom list is now sorted by atomic mass and atom labels.	.	.	.	.	Atome sind nun nach Masse und Namen sortiert.	.	现在原子按照原子量和元素符号分类排序。	.
sort_l-msg	Atom list is now sorted alphanumerically by labels	.	.	.	.	.	.	现在原子按照原子标签字母排序。	.
sort_m-msg	Atom list is now sorted by the atomic mass.	.	.	.	.	.	.	现在原子按照原子量排序。	.
sort_moiety-msg	The sorted list has been arranged such that atoms belonging to the same moiety staty together.	.	.	.	.	.	.	列表同一组中的原子被整理在一起。	.
rotate-target	Rotate your structure on the screen&#013;- align along unit cell axes&#013;- rotate by a certain amount in degrees&#013;- continuously rotate the structure	.	.	.	.	.	.	在屏幕上旋转结构&#013; - 沿着晶轴方向&#013; - 一定角度的旋转&#013; - 连续旋转结构	.
show-target	Select items to show or hide on the screen:&#013;- unit cell&#013;- basis vector&#013;- hydrogen atoms/labels&#013;	.	.	.	.	.	.	显示/隐藏以下项目:&#013; - 晶胞&#013; - 晶轴向量&#013; - 氢原子/标签&#013;	.
symmetry-generation-target	Tools for generating symmetry equivalent atoms:&#013;- pack&#013;- grow&#013;- copy fragments&#013;- move fragments	.	.	.	.	.	.	此工具可生成对称性等同的原子:&#013; - 堆积k&#013; - 生长&#013; - 复制片段&#013; - 移动片段	.
chemical-tools-target	Miscellaneous tools:&#013;- CHN Analysis values for current structure&#013;- Molecular Isotope Patterns&#013;- Molecular Volume&#013;- Polyhedral Volume around atoms	.	.	.	.	.	.	杂项工具:&#013; - 当前结构的元素组成分析&#013; - 分子同位素图谱&#013; -分子体积&#013; - 原子周围多面体体积。	.
OLEX2-conres-target	New Olex2 Constraints and Restraints	.	.	.	.	.	.	新的Olex2参数和限制性参数。	.
SHELX-compatible-constraints-target	All constraints available with SHELX&#013;- AFIX&#013;- EADP&#013;- EXYZ	.	.	.	.	.	.	Shlex提供的所有规定参数&#013; - AFIX&#013; - EADP&#013; - EXYZ	.
SHELX-compatible-restraints-target	All Restraints available from SHELX&#013;	.	.	.	.	.	.	Shelx提供的所有限制性参数&#013;	.
disorder-target	Tools for dealing with disorder:&#013;- Link atoms&#013;- Link occupancies&#013;- Assign parts&#013;- Show selected parts	.	.	.	.	.	.	此工具主要用来处理无序结构:&#013; - 连接原子&#013; - 连接占有率&#013; - 指定组&#013; - 显示已选组	.
calculate-voids-target	Calculate the Voids in your structure	.	.	.	.	.	.	计算结构中的空间。	.
electron-density-target	Interactively display the Electron Density&#013;- adjust drawing style&#013;- change atom types and recalculate map&#013;- change resolution	.	.	.	.	.	.	互交式显示电子云密度&#013; - 调节绘制模式&#013; - 改变原子种类和重新计算电子云密度图&#013; - 改变分辨率	.
twinning-target	Search for possible twin laws in your structure	.	.	.	.	.	.	在结构中搜寻可能存在的孪晶规则。	.
settings-target	Set preferences for Olex2	.	.	.	.	.	.	设定Olex2参数。	.
overlay-target	Overlay and match structures&#013;- Import another structure&#013;- Match fragments (Z' > 1)&#013;- Match substructures	.	.	.	.	.	.	覆盖和匹配结构&#013; - 导入另一个结构&#013; - 匹配片段 (Z' > 1)&#013; - 匹配子结构	.
recent-files-target	List files that have recently been opened in Olex2	.	.	.	.	.	.	列出最近用Olex2打开的文件。	.
refinement-indicators-target	See how your refinement is going!	.	.	.	.	.	.	请看您做的精修是如何进行的！	.
bad-reflections-target	Examine reflections that do not fit very well&#013;- Omit bad reflections&#013;- Omit occurances of reflections&#013;- Omit reflections by h,k,l	.	.	.	.	.	.	.	.
reflection-statistics-target	Examine your reflection statistics graphically:&#013;- Wilson Plot	.	.	.	.	.	.	通过统计图表检查衍射点:&#013; - Wilson Plot	.
electron-density-peaks-target	Examine residual electron denisity peaks graphically&#013;- See the relative height of the peaks&#013;- Modify transperancy of peak display	.	.	.	.	.	.	通过图形检查电子云密度残余峰&#013; - 查看相关电子云残余峰高度&#013; - 修改电子云密度残余峰显示	.
start-target	Start here!&#013;- Sample Structures&#013;- Open Exising File	.	.	.	.	.	.	在此开始!&#013; - 示例结构&#013; - 打开已有文件	.
news-target	Check here for:&#013;- Important announcements&#013;- Tip of the day&#013;- Links to the Olex2 portal	.	.	.	.	.	.	查看此处:&#013; - 重要的公告&#013; - 每天提示&#013; - 连接Olex2网站	.
tip-7	t^Custom Report Styles^tIt is possible to create a custom style for Olex2 reports by making use of Cascading Style Sheets (css).  Create a custom css file by editing and renaming this <a href='exec -o $getvar(defeditor) $BaseDir()/etc/CIF/styles/thesis.css'>file</a> and this will then appear as an option in the Report > Report Style drop-down box in the GUI.  All css items defined in the custom css file will override or extend those defined in thesis.css.	.	.	.	.	.	.	t^自定义报告模式^t 现在可能用层叠式样式表（css）生成自定义的Olex2报告模式。修改和重命名 <a href='exec -o $getvar(defeditor) $BaseDir()/etc/CIF/styles/thesis.css'>file</a> 可生成自定义的css文件。并且此文件将出现在Report > Report Style的下拉菜单中。所有在自定css文件中规定的css项将覆盖或扩展在thesis.css中的相应部分。	.
tip-8	t^Change Spacegroup P1 to P-1^tFirst, identify two atoms related by the center of inversion and select them.<br>XX echo ccrd(sel) XXto get the coordinate of the point between the selected atoms. Olex2 will print the fractional coordinates of the center of inversion as 'x,y,z'.<br>XX push -x, -y, -z XXto move the content of the asymmetric unit so that the center of inversion now is at (0,0,0).<br>XX changesg P-1 XXto change the space group. Olex2 will try to remove the symmetry related atoms, however if the atoms do not overlap within some vlaue, they have to be removed manually.<br>Sometimes the molecule looks 'broken' after this operation and the command 'compaq -a' has to be typed to assemble the molecule.	.	.	.	.	.	.	.	.
sucrose_introduction-tutorial	{{
author:Horst,
next:sucrose_space-group,
previous:sucrose_introduction
}}

<b>In this tutorial, you will determine the molecular structure of sucrose. The reflection 
data required to do so are included in this distribution of Olex2.</b>

&&

~Load Reflections~
In order to solve a structure, you will need a reflection file (either a raw or a 
processed hkl file will do) and a file containing the unit cell dimension and some 
other necessary data.

XX reap DataDir()/samples/sucrose/sucrose.hkl XX

To do this action, either type the above line exactly (click 
on the main window and start typing!) or click on the link above.

n^The function call <b><i>DataDir()</i></b> returns the path to the directory, where 
Olex2 stores the information of a particular user. Other built-in functions include 
<b><i>BaseDir()</i></b> (Olex2 installation directory), 
<b><i>FilePath()</i></b> (Path to the current structure) and 
<b><i>FileName()</i></b> (Name of the current structure). In order to see these values, type:
XX echo BaseDir() XX ^n

Since there we also supply a finished model of the sucrose molecule, this has 
automatically loaded and you should now see the sucrose molecule on the screen. Of 
course, if you have played with this structure before, the model on the screen will 
be exactly at the stage where you left it!<lb>

The next step would normally be the<lb>
l[Space Group Determination,sucrose_space-group,tutorial],<lb>
 
but you may want to skip this part and jump straight to<lb>
l[Structure Solution,sucrose_solve,tutorial]. 
<lb>
<lb>
~Contents~<br>
<font size='-1'>
l[Space Group Determination,sucrose_space-group,tutorial]<br>
l[Structure Solution,sucrose_solve,tutorial]<br>
l[Atom Type Assignment,sucrose_assign,tutorial]<br>
l[Structure Refinement,sucrose_refine,tutorial]<br>
</font>

&&	.	.	.	.	.	.	.	.
sucrose_space-group-tutorial	{{author:Horst,next:sucrose_solve,previous:sucrose_introduction}}&&~Space Group Determination~The space group of your structure may or may not have been determined by an external program like XPREP. If it has been determined, there will have been a ShelX ins file, which Olex2 would have automatically read and the space group would be taken from the symmetry instructions in that file.<lb>The space group can also be determined by Olex2 by issuing the commandXX sg XXThe textual output of this command will have appeared on the screen. If you wish to examine this more carefully, typeXX text XXIf you are unsure as to whether your structure is centrosymmetric or not, it might be a good idea to have a look at the Wilson Plot. XX wilson_plot XXThe little diagram at the bottom of this graph clearly shows that this structure is non-centrosymmetric, and therefore the correct space group must be P2<sub>1</sub>. We can now reset the structure in the correct space group by typingXX reset -s=P21 XXl[Stucture Solution,sucrose_solve,tutorial]&&	.	.	.	.	.	.	.	.
sucrose_solve-tutorial	** structure **{{author:Horst,next:sucrose_assign,previous:sucrose_space-group}}<b>Structure Solution refers to the part of the structure determination where a list of electron density peaks is obtained from the reflection file.</b>&&~Solution Programs~ There are various programs available that will do this job. Olex2 currently supports <b>ShelXS</b>, <b>ShelXM</b> and it's own structure solution program: <b>smtbx-solve</b>.<lb>You can examine the available programs by clicking on the tab gui[Work,itemstate * 0 tab* 2 tab-work 1 logo1 1 index-work* 1 info-title 1,none]. There you will find three more tabs: Solve, Refine and Report. Right next to the word 'solve' will be a small triangle. If you gui[click,itemstate cbtn* 1 cbtn-refine 2 *settings 0 refine-settings 1>>updatehtml,none]  on that, you get access to the settings of the structure solution. The available structure solution programs can be inspected in the drop-down menu 'Solution Programs'n^If you have <b>ShelX</b> installed on your system, but neither <b>ShelXS</b> nor <b>ShelXM</b> appear in the list, you can try to copy the executables into the Olex2 installation directory. It could also be that you are using executables that came with an installation of <b>WinGX</b> - these will not work with Olex2. In this case you will have to contact George Sheldrick directly to obatain new executables - which is of course what you would have to do if you don't have ShelX.^n~Solution Settings~ Each of thesese solution programs has a variety of settings. Depending on the program chosen, these settings can all be adjusted from the Olex2 GUI. If you press the 'Solution Settings Extra' button, you can see and adjust all parameters that are available for the chosen solution program and solution method combination.~Solve the Structure~In the case of our sucrose structure, choose <b>ShelXS</b> as the solution program, and <b>Direct Methods</b> as the solution method. To solve the structure, either click on the 'Solve' button, or type:XX solve XXYou should now see brown spheres, representing electron denisty peaks, on the screen. The spheres vary in transparency, the more transparent they are, the smaller the peak. You should be able to clearly see the sucrose molecule already!<lb>In the next step you will assign these electron density peaks to the correct atom types.<lb>l[Assign Atom Types,sucrose_assign,tutorial]&&	.	.	.	.	.	.	.	.
sucrose_assign-tutorial	{{author:Horst,previous:sucrose_solve,next:sucrose_refine}}We now need to assing these electron density peaks (displayed as brown spheres) to some real atom types. Luckily the sucrose molecule is already visible, so the job is easy.&&~Tidy the Peaks~The fist step is to tidy up some of these peaks so that we can see almost nothing but the actual sucrose molecule. A good tool to use here is the gui[Electron Density Peak Slider,itemstate * 0 tab* 2 tab-work 1 logo1 1 index-work* 1 info-title 1>>itemstate work-toolbox 1,none]. , which can be found under the <b>Toolbox Work</b> tool and should be visible right now. If you move the slider to the <i>left</i>, strong peaks will be deleted first, and if you slide it to the <i>right</i>, weak peaks will be eliminated. Please move the slider to the right now, until all visible electron density peaks in the display correspond to a real atom (about 80 in the box next to the slider).XX showQ 80 XX~Convert all peaks to Carbon~In simple stuctures like this, it is often a good idea to convert all electron denisty peaks to carbon atoms as a starting point. To do so, you can press the 'QC' button (in the first line of Toolbox Work) or issue this commandXX name &#36;q c XX~Refine the Stucture~You now have a model of your structure that conists entirely of carbon atoms. This is of course not the correct structure of sucrose. In order to find out how well our atom assignment matches reality, we need to refine the structure against our reflection data. To do so, press the 'Refine' button or type:XX refine XXThe refinement part is at the heart of crystal structure analysis. The next part of this tutorial will deal with structure refinement.<lb>l[Structure Refinement,sucrose_refine,tutorial]&&	.	.	.	.	.	.	.	.
sucrose_refine-tutorial	{{author:Horst,next:sucrose_introduction,previous:sucrose_assign}}<b>Structure refinement lies at the heart of a crystal structure analysis. It is the step in the analysis where our model (i.e. the assignment of atom types) conforms to the measured reflection data.</b>&&~Refine~To start a refinement with current settings (which will be the default settings unless you have modfied them), either press the 'Refine' button, press <b>Ctrl+r</b> or typeXX refine XXYou can change the refinement settings under the 'Refine' tab by clicking on the little arrow next to the word 'refine'. The available refinement programs should be visible under the 'Refinement Program' dropdown menu, and for each program there will be one or more 'Refinement Options'. You can also set the number of refinement cycles and the number of electron density peaks you wish to see after the refinement. n^These latter two parameters can also be set from the command line by, for example:XX refine 4 20 XXThis will start the refinement with a maximum of 4 cycles and ask for 20 electron density peaks.^n~Examine the Model~Regardless of the refinement program or method used, the spheres representing the carbon atoms in the refined model are not all of the same size. In fact, you should see two lots of sizes: smaller spheres and larger spheres. The size of the spheres represents the a parameter resulting from refinement that tells us how well the current assignment corresponds to reality. If a sphere is too big', the real atom type is lighter than the currently assigned atom type. Conversely, if it is 'too small', the real atom type is heavier. In the case of this structure it is very easy to see which atoms should really be heavier!<lb>At this point, the residual electron denisty peaks (brown spheres) can get into the way. You can toggle their display by pressing <b>Ctrl+q</b> repeatedly and see what happens to them on the screen. You might want to continue with the electron denisty peaks hidden from view.~Re-assign Atoms~There are many ways to re-assign an atom type. Please try all of the following:<lb>- Right-click on one of the small spheres and select Type|O<lb>- Click on two other small spheres in turn, then right-click on one of them Type|O<lb>- Click on yet another one, then click on the button 'O'<lb>- Click on two small spheres, then type:XX name sel O XX- Click on the button 'O', then click on the remaining 'small' spheres in turn.&&	.	.	.	.	.	.	.	.
center_on_cell_target	Center the structure on the unit cell	.	.	.	.	.	.	将结构中心放置在晶胞内	.
center_on_largest_part-target	Center the structure on the largest fragment	.	.	.	.	.	.	将结构中心放在最大片段	.
fuse-target	Reload the asymmetric unit of the structure	.	.	.	.	.	.	重新载入结构的非对称单元	.
matr_1-target	Align view along the a axis	.	.	.	.	.	.	沿a轴方向查看	.
matr_2-target	Align view along the b axis	.	.	.	.	.	.	沿b轴方向查看	.
matr_3-target	Align view along the c axis	.	.	.	.	.	.	沿c轴方向查看	.
pack_cell-target	Generate symmetry equivalent atoms to fill the unit cell	.	.	.	.	.	.	生成晶胞内所有对称性等同的原子	.
pack_limits-target	Generate symmetry equivalent atoms within the entered limits	.	.	.	.	.	.	在输入的范围内生成对称性等同的原子	.
a-target	Align view along the unit cell a axis	.	.	.	.	.	.	沿晶胞的a轴方向查看	.
b-target	Align view along the unit cell b axis	.	.	.	.	.	.	沿晶胞的b轴方向查看	.
c-target	Align view along the unit cell c axis	.	.	.	.	.	.	沿晶胞的c轴方向查看	.
x-target	Rotate around the x axis of current view	.	.	.	.	.	.	围绕当前视角中x轴旋转	.
y-target	Rotate around the y axis of current view	.	.	.	.	.	.	围绕当前视角中y轴旋转	.
z-target	Rotate around the z axis of current view	.	.	.	.	.	.	围绕当前视角中z轴旋转	.
atom_label-target	Sort atom list alphanumerically by atom label	.	.	.	.	.	.	按照原子标签字母顺序排序	.
mass_&_label-target	Sort atom list by atomic mass and label string	.	.	.	.	.	.	按照原子量和标签排序	.
atomic_mass-target	Sort atom list by atomic mass	.	.	.	.	.	.	按照原子量排序	.
moieties-target	Split atom list into moieties	.	.	.	.	.	.	将原子列表分为两组	.
balls_&_sticks-target	Display atoms as ball and stick	.	.	.	.	.	.	显示结构为球棍式	.
wireframe-target	Dislplay the stucture in wireframe view	.	.	.	.	.	.	显示结构为线框式	.
sphere_packing-target	Show a space-filling representation of the structure	.	.	.	.	.	.	显示结构的空间占有示意图	.
tubes-target	Represent the structure as tubes	.	.	.	.	.	.	显示结构为管式	.
default_style-target	Load the Olex2 default viewing style	.	.	.	.	.	.	载入Olex2默认显示风格	.
polyhedra-target	Show the structre in a polyhedral representation	.	.	.	.	.	.	显示结构为多面体模型	.
symmetry-generation-help	This is a collection of tools for creating symmetry equivalent atoms in a structure. &&~Moving and Copying~Sometimes fragments of a structure appear in the 'wrong' place. For example, a counter-ion might be displayed away from a metal complex, or a water molecule of solvation does not appear on the 'correct' side of the main fragment.<lb>With the 'Move Near' and 'Copy Near' modes the structure can be re-assembled in a more suitable way. To do this, you need to do the following:<lb>1. Select the atom of the main fragment that you wish to move subsequently clicked atoms close to.<lb>2. Click on 'Move Near' (to move subsequently clicked atoms) or 'Copy Near' (to create additional symmetry equivalent fragments).<lb>3. While in this mode, any atom clicked, will be moved (or copied) as close to the originally selected atom as possible.XX mode move sel XXXX move sel -c XX&&	.	.	.	.	.	.	这是生成结构中对称性等同原子的工具集合。&&  ~移动和复制~ 有时结构中的一些片段出现在‘错误’的位置。例如，相反离子远离金属配合物，或溶剂水分子没有在主片段的‘正确’方位。<lb> 利用‘移动至’和‘复制至’模式使得结构以更合适的方式重新组装。在做之前，您需要先做如下步骤:<lb> 1. 选择主片段上一个原子，接下来您将选择移动的其它原子到此原子附近。<lb> 2. 点击‘移动至’(移动下一步选择的原子)或‘复制至’(将生成另一个对称性等同片段)。<lb> 3. 在此模式下，任何点击任何原子都将尽可能移动(或复制)到离第一步所选原子最近的位置上。 XX mode move sel XX XX move sel -c XX  &&	.
tip-9	t^Set maximum number of bonds for an atom^tIt is possible to set a maximum number of bonds to display for a specific atom. Right-click on the atom -> Bonds -> {select value}. Alternatively: Select the atom and then type:XX conn 3 XXwhich will show at most three bonds to the selected atom. Of course you could also provide a specific atom name instead of selecting an atom, e.g.:XX conn C7 3 XXIt is also possible to select the maximum number of bonds to show for all atoms of the same type:XX conn $Ca 6 XXThis will not over-write values that might have been set previously for a specific atom. n^If a positive number is provided, the <i>longest</i> bond(s) will be removed, if a negative number is provided, the <i>shortest</i> bonds will be removed.^n	.	.	.	.	.	.	t^设置原子的最大成键数目^t<br>  可以为特殊的原子设定最大的成键数目:右键点击原子 -> Bonds -> {选择数目}，也可以通过选择一个原子然后输入:  XX conn 3 XX 来实现，即将显示最多三个与已选原子相连的键。当然，您也可以用特殊原子具体的标签来代替选择原子，例如:  XX conn C7 3 XX 。  还能显示所有同类原子的最大成键数目:  XX conn $Ca 6 XX ，并且不会覆盖已设定好的特殊原子成键数目。n^如果给出的是一个正值，那么 <i>最长</i> 的键将被删除，如果给出的负值，<i>最短</i> 的键将被删除。^n	.
tip-10	t^Set occupancy for atoms^tOccupancies for atoms can be set by Right-click -> Occupancy -> {select value}. This will fix the occupancy to the chosen value. Alternatively, select the atom and typeXX fix occu 0.5 XXThis will fix the occupancy to 0.5.n^It is possible to toggle between a fixed occupancy and a freely refined occupancy by repeating the above steps in the gui (and then select 'free' or 'fixed' from the menu. Alternatively, select the atom and type:XX free occu XX^n	.	.	.	.	.	.	t^设定原子占有率^t  通过右键 -> Occupancy -> {选择数值}来设定原子的占有率。这样设定后原子的占有率将被固定为设定值。当然，也可在选择原子后输入: XX fix occu 0.5 XX 命令，即将原子的占有率固定为0.5。n^在上述设定占有率的界面中可以通过选择‘free’或‘fixed’来切换是否精修占有率，也可以在选择原子后输入: XX free occu XX 来设定。^n	.
tip-11	t^Adding Hydrogen Atoms^tOlex2 will place hydrogen atoms and constrain them automatically. If you want to place all hydrogen atoms, click on the 'HADD' button under the work tab or simply type:XX hadd XXIf no atoms are selected, hydrogen atoms will be added to all 'suitable' atoms, if there is a selection, only the selected atoms will be included.<br>It is also possible to generate specific constraints for geometrically generated hydrogen atoms, e.g.:XX hadd 23 XXwill only place hydrogen atoms to atoms with suitable geometry (2 H on sp<sup>3</sup>). As before, if there is no selection, all atoms wil be considered, otherwise only the selected atoms. This means that, for example, one hydroxy hydrogen can be constraint with AFIX 83 while another one can use AFIX 147. Custom constraints will overwrite constraints placed automatically.n^Olex2 uses the ShelX 'AFIX nm' syntax when dealing with hydrogen constraints.^n	.	.	.	.	.	.	t^加氢^t  Olex2可以自动加氢并且限制其位置。如果您想加上所有氢原子，请点击在‘工作’界面下的‘AddH’按钮或输入:  XX hadd XX 。如果没有选定原子，那么将对所有‘适合’的原子加氢；如果选定了一个或多个原子，则只是对已选原子加氢<br>  加氢会对生成的氢原子产生几何上的限制性参数，例如:  XX hadd 23 XX 只会将氢原子放在几何上适当的位置 (2 H on sp<sup>3</sup>)。同样，如果没有选择原子则将考虑所有原子，否则只是对已选原子加氢。这意味着，一个氢原子可以用AFIX 83限定，而另一个则可以是通过AFIX 147限定。自定义限制性参数将自动覆盖自动定义的限制性参数。  n^Olex2使用ShelX中 'AFIX nm' 规则来处理氢原子的限制性参数。^n	.
getting-started_main-window-tutorial	**selected,rotated,zoomed,console,background**{{author:Horst,next:getting-started_control-panel,previous:getting-started_main-window}}<b>Now that you have successfully installed Olex2 on your system, it is time to get familiar with Olex2.</b>&&~The Main Window~ is the big window where your molecule is displayed. On startup, Olex2 will load the last structure - and if Olex2 is run for the first time, it will load one of our sample structures, which is shipped with Olex2.<lb>The displayed molecule can be rotated (left-click somewhere on the background) and zoomed (right-click on the background, then move the mouse).<lb>Atoms and bonds of your molecule can be selected (left-click on them), some of their properties can be viewed (hover the mouse over them), and some of their properties can be changed (right-click on them).<lb>The main window also doubles up as the Olex2 console: Whenever you start typing, text will appear in the bottom left hand corner of the main window. If you press <<RETURN>>, the command you have typed will be executed.n^This console supports <<TAB>> autocomplete: start typing the first few letters of a command and pressing <<TAB>> will complete the command for you, or show you a list of available commands starting with the letters you have already typed^n~Customising~ the main window is easy: <<F2>> toggles between a white background and a chosen background (default: blue). You can set your own colour by right-clicking on the background ->Draw Styles->Scene Properties. <<F4>> toggles the gradient background on and off. You can set its visual appearance by typing:XX grad XXThe display style of any graphical object can be adjusted in the same way, right-click on an atom -> Draw Styles. Some objects have more than one part to them - for example, if atoms are anisotropic they are displayed with octant bands - these have different properties to the ellipsoids. There is a drop-down box in the draw-styles menu where you do this selection. Since all things in Olex2 are OpenGL objects, things are a bit more complicated than simply selecting a colour - play around with the different options to get a feel for what things actually do!n^You can adjust the properties of all atoms in the periodic table by clicking on the 'Atom Styles' link in thegui[Start,,none]menu.^n&&	.	.	.	.	#######################################################This is the <b>German</b> translation of this item in progress.You are the first person to work on a translation of this itemPlease insert your translation here.If you are finished, please delete these lines.####################################################### **selected,rotated,zoomed,console,background**{{author:Horst,next:getting-started_control-panel,previous:getting-started_main-window}}<b>Now that you have successfully installed Olex2 on your system, it is time to get familiar with Olex2.</b>&&~The Main Window~ is the big window where your molecule is displayed. On startup, Olex2 will load the last structure - and if Olex2 is run for the first time, it will load one of our sample structures, which is shipped with Olex2.<lb>The displayed molecule can be rotated (left-click somewhere on the background) and zoomed (right-click on the background, then move the mouse).<lb>Atoms and bonds of your molecule can be selected (left-click on them), some of their properties can be viewed (hover the mouse over them), and some of their properties can be changed (right-click on them).<lb>The main window also doubles up as the Olex2 console: Whenever you start typing, text will appear in the bottom left hand corner of the main window. If you press <<RETURN>>, the command you have typed will be executed.n^This console supports <<TAB>> autocomplete: start typing the first few letters of a command and pressing <<TAB>> will complete the command for you, or show you a list of available commands starting with the letters you have already typed^n~Customising~ the main window is easy: <<F2>> toggles between a white background and a chosen background (default: blue). You can set your own colour by right-clicking on the background ->Draw Styles->Scene Properties. <<F4>> toggles the gradient background on and off. You can set its visual appearance by typing:XX grad XXThe display style of any graphical object can be adjusted in the same way, right-click on an atom -> Draw Styles. Some objects have more than one part to them - for example, if atoms are anisotropic they are displayed with octant bands - these have different properties to the ellipsoids. There is a drop-down box in the draw-styles menu where you do this selection. Since all things in Olex2 are OpenGL objects, things are a bit more complicated than simply selecting a colour - play around with the different options to get a feel for what things actually do!n^You can adjust the properties of all atoms in the periodic table by clicking on the 'Atom Styles' link in thegui[Start,,none]menu.^n&&	.	.	.
getting-started_control-panel-tutorial	**selected,rotated,zoomed,console**{{author:Horst,next:getting-started_control-panel,previous:getting-started_main-window}}<b>There are many different ways to interact with Olex2, and many things can be done in more than one way.</b>&&~The Command Panel~ is the panel that you find to the right of the main window. This is its default position; you can also move it to the left. To do this, navigate to Tools->Settings in the command panel. Alternatively, you could could have typed:XX htmlpanelswap XXn^In this tutorial, links like the one above are clickable - the command displayed will be executed on clicking.^nWe suggest that you have a good look around the command panel and see what you  can find!<lb>Tools are loosely arranged according to one of the four categories: work, view, tools and info. Of course it is not always possible to find the just one best place for any given tool - please let us know if you think a particular tool is misplaced!~The Menu Bar~ is the bar at the top of the Olex2 window. This bar has been neglected by us for a while and does, at the moment, not reflect the full potential of Olex2. Please bear with us until this is fixed!~The Context Menu~ is whatever you get when you right-click on any object in the main window of Olex2. This menu changes depending on what you click - so go ahead and play around with it!&&	.	.	.	.	.	.	.	.
tip-12	t^Selecting Atoms that are 'too small'^tBy default, Olex2 displays atoms and their thermal parameters. Anisiotropically refined atoms will be represented with their thermal ellipsoids. Atoms, that have been refined isotropically will shown as spheres, where the radius represents the U<sub>eq</sub> value of the atom. If this value becomes very small, the sphere will be very small - and often too small to be selected by the mouse. In this case you will need to draw a rectangle around the atom you wish to select (press the  <<SHIFT>> key while holding down the left mouse button. Alternatively, you  can change the display style by typing:XX pers XXwill show all atoms as spheres of similar size (the size reflects the atomic radii). If you choose to do this, it is important not to forgt to go back to the  anisotropic display by typingXX telp XX	.	.	.	.	.	.	.	.
tip-13	t^Reloading a structure^tIf you want to reload a structure, the easiest way is to click on the 'File' menu item in the file menu bar, and then click on the already highlighted item there - this will reload your current structure from file.	.	.	.	.	.	.	.	.
Setup Olex2	Setup Olex2	.	.	Setup Olex2	.	Setup Olex2	.	Setup Olex2	.
Getting Started	Getting Started	.	.	Getting Started	.	Einführung	.	Getting Started	.
Configure	Configure	.	.	Configure	.	Einstellungen	.	Configure	.
Atom Styles	Atom Styles	.	.	Atom Styles	.	Atomdarstellung	.	Atom Styles	.
Sucrose	Sucrose	.	.	Sucrose	.	Sucrose	.	Sucrose	.
Refresh GUI images	Refresh GUI images	.	.	Refresh GUI images	.	Grafik Erneuern	.	.	.
If the GUI has gone bad	If the GUI has gone bad	.	.	If the GUI has gone bad	.	Wenn das GUI kaputt gegangen ist	.	.	.
Kill all Hydrogen Atoms	Kill all Hydrogen Atoms	.	.	.	.	Alle Wasserstoffatome löschen	.	.	.
Toggle H atoms ON > ON with H-bonds > OFF	Toggle H atoms ON > ON with H-bonds > OFF	.	.	.	.	H an > H mit Wasserstoffbrücken >> H aus	.	.	.
Atoms clicked after clicking this button &#013;will be asociated with the ShelX command HFIX	Atoms clicked after clicking this button &#013;will be asociated with the ShelX command HFIX	.	.	.	.	.	.	.	.
Change the formula in the files so it reflects what is on the screen	Change the formula in the files so it reflects what is on the screen	.	.	.	.	Formel so ändern, dass diese der momentanen Struktur entspricht.	.	.	.
low-quality-target	Show Structure in Low Quality Display	.	.	.	.	Niedere Grafiksqualität	.	用低质量显示模式	.
Switches the display of the cell on	Switches the display of the unit cell on	.	.	.	.	Zelle anzeigen	.	.	.
symmetry-generation	Symmetry Generation	.	.	.	.	symmetry-generation	.	.	.
of selection	of selection	.	.	.	.	of selection	.	已选原子之间	.
Refine and save esd info	Refine and save esd info	.	.	.	.	Verfeinern und die e.s.d. Information speichern	.	精修并保存估计标准偏差信息	.
Distance and Angles with esd	Distance and Angles with esd	.	.	.	.	Abstände und Winkel mit e.s.d	.	距离和角度及其估计标准偏差	.
quick-drawing-styles	Quick Drawing Styles	.	.	.	.	.	.	quick-drawing-styles	.
Show Ellipsoids	Ellipsoids	.	.	.	.	Ellipsoide zeigen	.	显示椭球模型	.
Show Ellipsoids and Hydrogen atom Uiso	Show Ellipsoids and Hydrogen atom Uiso	.	.	.	.	Ellipsoide & Wasserstoffatome Uiso zeigen	.	显示椭球模型和氢原子Uiso	.
Incomplete	Incomplete	.	.	.	.	Unvollständig	.	Incomplete	.
Polyhedra	Polyhedra	.	.	.	.	Polyheder	.	多面体模型	.
Wireframe	Wireframe	.	.	.	.	Drahtmodell	.	线框模型	.
Tubes	Tubes	.	.	.	.	Röhren	.	管状模型	.
chemical-tools	Chemical Tools	.	.	.	.	chemical-tools	.	.	.
Chemical Tools	Chemical Tools	.	.	.	.	Chemische Analysen	.	化学工具	.
Delete Void Display	Delete Void Display	.	.	.	.	Lerraumdarstellung Löschen	.	删除空隙空间显示	.
calculate-voids	Calculate Voids	.	.	.	.	calculate-voids	.	Calculate Voids	.
Calculate Voids	Calculate Voids	.	.	.	.	Leerräume Berechnen	.	计算空隙空间	.
Sorting	Sorting	.	.	Сортировка	.	sortieren	.	原子排序	.
mass & label	Mass & Label	.	.	.	.	Masse & Name	.	原子量 & 标签	.
atom label	Atom Label	.	.	.	.	Atomname	.	原子标签	.
atomic mass	Atomic Mass	.	.	.	.	Atommasse	.	原子量	.
moieties	Moieties	.	.	.	.	Teil	.	分组	.
bad_gui-msg	If the GUI has Gone Fishing	.	.	.	.	Wenn das GUI kaputt gegangen ist	.	bad_gui-msg	.
bad_gui	Reload the GUI	.	.	.	.	GUI Neu Laden	.	Reload the GUI	.
bad_gui-target	Try clicking on this link if the GUI has been corrupted	.	.	.	.	Klicken sie hier, um das GUI neu zu laden	.	bad_gui-target	.
to 2 parts in order	to 2 parts in order	.	.	.	.	to 2 parts in order	.	to 2 parts in order	.
recent-files	Recent Files	.	.	предыдушие файлы	.	.	.	.	.
name-target	Start Naming Mode	.	.	name-target	.	Bennungsmodus Einschalten	.	开始命名	.
mass & labels	Mass & Labels	.	.	.	.	.	.	.	.
Pack within Radius of	Pack within Radius of <i>n</i> Å	.	.	.	.	Pack within Radius of <i>n</i> Å	.	在<i>n</i> Å半径内显示堆积图	.
wire	Wire	.	.	.	.	Wire	.	线框式	.
surface	Surface	.	.	.	.	Surface	.	表面式	.
points	Points	.	.	.	.	Points	.	点式	.
Equivalent Fragments	Equivalent Fragments	.	.	.	.	Gleichartige Fragmente	.	等价的片段	.
Automatic Hydrogen Naming	Automatic Hydrogen Naming	.	.	.	.	Automatische Benennung der Wasserstoffatome	.	自动命名氢原子	.
electron-density	electron-density	.	.	.	.	electron-density	.	.	.
Mask	Mask	.	.	.	.	Mask	.	Mask	.
Delete Map	Delete Map	.	.	.	.	Map Löschen	.	删除电子云密度图	.
Calculate	Calculate	.	.	.	.	Berechnen	.	计算	.
Map	Map	.	.	.	.	Map	.	电子云密度图	.
Source	Source	.	.	.	.	Quelle	.	数据源	.
Electron Density Peaks	Electron Density Peaks	.	.	.	.	Elektronendichte Peaks	.	残余电子云密度峰	.
rrings_help	Restrain all selected atoms to lie in a plane and have the same distance	.	.	.	.	.	.	.	.
rrings-htmhelp	Restrain all selected atoms to lie in a plane and have the same distance	.	.	.	.	Restraints all selected atoms to lie in a plane and have the same distance	.	限制所有已选原子在同一平面并且间距相等	.
tria-htmhelp	Restrain three atoms such that the distance between the central atom and two specified bound atoms is the same.	.	.	.	.	Restrain three atoms such that the distance between the central atom and two specified bound atoms is the same.	.	限制中间原子与其它两个原子的间距相等	.
eadp-htmhelp	Select any number of atoms - their EADPs will be constrained to be the same.	.	.	.	.	Select any number of atoms - their EADPs will be constrained to be the same.	.	选择任意数目原子-这些原子的EADP参数将被限定为相同大小。	.
exyz-htmhelp	Select any number of atoms - their XYZ position will be constrained to be the same.	.	.	.	.	Select any number of atoms - their XYZ position will be constrained to be the same.	.	选择任意数目原子-这些原子的XYZ坐标将被限定为相同位置。	.
Close	Close	.	.	.	.	.	.	关闭	.
.	.	.	.	.	.	.	.	.	.
Electon Density Peaks	Electon Density Peaks	.	.	.	.	Electon Density Peaks	.	残余电子云密度峰	.
Auto	Auto	.	.	.	.	.	.	自动模式	.
Pack within Radius of <i>n</i> &Aring;	Pack within Radius of <i>n</i> Å	.	.	.	.	.	.	.	.
Pack Radius	Pack Radius	.	.	.	.	Pack within Radius of <i>n</i> Å	.	在<i>n</i> Å半径内显示堆积图	.
Starting ...	Starting ...	.	.	.	.	Starting ...	.	开始 ...	.
Modify Settings for Report Generation	Modify Settings for Report Generation	.	.	.	.	Einstellungen für die Berichterstellung ändern	.	修改报告创建设置	.
Tick the box to automatically update	Tick the box to automatically update	.	.	.	.	Tick the box to automatically update	.	Tick the box to automatically update	.
Checking for CIF file ...	Checking for CIF file ...	.	.	.	.	Nch cif suchen	.	Checking for CIF file ...	.
Refine the Structure	Refine the Structure	.	.	.	.	Struktur verfeinern	.	精修结构	.
Make selected atoms isotropic. &#013;If no atoms are selected, all atoms will be transformed	.	.	.	.	.	.	.	.	.
Modify Settings for Structure Solution	Modify Settings for Structure Solution	.	.	.	.	Einstellungen für die Strukturlösung ändern	.	更改结构解析设置	.
Report Title	Report Title	.	.	.	.	Report Title	.	报告标题	.
Report Style	Report Style	.	.	.	.	Report Style	.	报告格式	.
Q To C-target	Convert all electron density peaks to C atoms	.	.	.	.	Convert all electron density peaks to C atoms	.	将所有Q峰标为C	.
Tidy Structure-target	Tidy the structure automatically	.	.	.	.	Struktur automatisch aufräumen	.	自动整理结构	.
HFIX 43-target	Atoms selected after clicking this button will be associated with the ShelX command HFIX 43	.	.	.	.	Atoms clicked after clicking this button will be asociated with the ShelX command HFIX% 43	.	点击此按钮后选定的原子被加上HFIX 43命令	.
Fix Unit-target	Change the Unit Cell contents to reflect the current structure	.	.	.	.	Change the Unit Cell contents to reflect the current structure	.	将分子式更改为当前所见结构	.
Kill H-target	Kill H-target	.	.	.	.	Wasserstoffatome löschen	.	删除H原子	.
Toggle Q-target	Toggle Electron Density Peaks On > On with Bonds > Off	.	.	.	.	Elektrondichte Peaks An > An mit Bindungen > Aus	.	切换显示/隐藏Q峰	.
HFIX 23-target	Atoms selected after clicking this button will be associated with the ShelX command HFIX 23	.	.	.	.	Atoms clicked after clicking this button will be asociated with the ShelX command HFIX 23	.	点击此按钮后选定的原子被加上HFIX 23命令	.
Toggle H-target	Toggle H atoms On > With H Bonds > Off	.	.	.	.	Wasserstoffatome: An > An mit Wasserstoffbrückenbindungen > Aus	.	切换显示H原子/显示氢键/隐藏H原子	.
HFIX 137-target	Atoms selected after clicking this button will be associated with the ShelX command HFIX 137	.	.	.	.	Atoms clicked after clicking this button will be asociated with the ShelX command HFIX 137	.	点击此按钮后选定的原子被加上HFIX 137命令	.
HFIX 13-target	Atoms selected after clicking this button will be associated with the ShelX command HFIX 13	.	.	.	.	Atome, die nach klicken dieses Knopfes angeklickt werden, werden das ShelX Kommando HFIX 13 erhalten.	.	点击此按钮后选定的原子被加上HFIX 13命令	.
Show Cell-target	Toggles the display of the unit cell	.	.	.	.	Zelle anzeigen	.	显示晶胞	.
Balls and Sticks	Balls & Sticks	.	.	.	.	Kugeln & Stäbe	.	球棍模型	.
Center of cell	Center on Cell	.	.	.	.	Center of cell	.	.	.
Grow Mode	Grow Mode	.	.	.	.	Grow Mode	.	生长模式	.
Largest Part	Largest Part	.	.	.	.	Grösste Einheit	.	最大片段	.
Rename Matched Fragments	Rename Matched Fragments	.	.	.	.	Rename Matched Fragments	.	Rename Matched Fragments	.
Updating Cif ...	Updating Cif	.	.	.	.	Updating Cif	.	Updating Cif ...	.
Creating Image ...	Creating Image...	.	.	.	.	Creating Image...	.	Creating Image ...	.
Chinese	Chinese	.	.	.	.	Chinesisch	.	中文	.
HIMP	HIMP	.	.	.	.	HIMP	.	HIMP	.
Alerts	Alerts	.	.	.	.	Warnungen	.	警告	.
Mode Split	Mode Split	.	.	.	.	Mode Split	.	Mode Split	.
Graduated on/off	Graduated on/off	.	.	.	.	Graduierter Hintergrund An/Aus	.	梯度显示开/关	.
Tooltips on/off	Tooltips on/off	.	.	.	.	Tooltips An/Aus	.	工具提示开/关	.
Creating Report ...	Creating Report	.	.	.	.	Creating Report	.	Creating Report ...	.
Switches interactive help in cmd on	Switches interactive help in cmd on	.	.	.	.	.	.	命令行模式互交式帮助开关	.
Adjust Formula	Adjust Formula	.	.	.	.	Adjust Formula	.	Adjust Formula	.
Spanish	Spanish	.	.	.	.	Spanisch	.	西班牙语	.
Create Report	Create Report	.	.	.	.	Create Report	.	Create Report	.
Add Hydrogen Atoms	Add Hydrogen Atoms	.	.	.	.	<b>Add Hydrogen Atoms	.	.	.
Solve the Structure	Solve the Structure	.	.	.	.	Solve the Structure	.	Solve the Structure	.
THPP	THPP	.	.	.	.	THPP	.	THPP	.
Assign & Refine	Assign & Refine	.	.	.	.	Assign & Refine	.	Assign & Refine	.
Open a reflection file (hkl)	Open a reflection file (hkl)	.	.	.	.	Open a reflection file (hkl)	.	Open a reflection file (hkl)	.
Co110	Co110	.	.	.	.	Co110	.	Co110	.
Make Structure Anisotropic	Make Structure Anisotropic	.	.	.	.	Make Structure Anisotropic	.	Make Structure Anisotropic	.
vss	Verify Structure Solution	.	.	.	.	Strukturlösung Verifizieren	.	核实结构解析	.
ata	Atom Type Assignment	.	.	.	.	Atomtypen Zuweisen	.	原子种类指认	.
Solve Only	Solve Only	.	.	.	.	Nur Lösen	.	解析结构	.
Refine Only	Refine Only	.	.	.	.	Nur Verfeinern	.	精修结构	.
Current	Current	.	.	.	.	Diese Struktur	.	.	.
Refinement Method	Refinement Method	.	.	.	.	Verfeinerungsmethode	.	精修方法	.
Refinement Program	Refinement Program	.	.	.	.	Verfeinerungsprogramm	.	精修程序	.
isot-target	Make selected atoms isotropic. If no atoms are selected, all atoms will be transformed	.	.	.	.	Make selected atoms isotropic. If no atoms are selected, all atoms will be transformed	.	使已选原子各向同性。如果没有选择原子，则作用于所有原子。	.
Phenyl	Phenyl	.	.	.	.	Phenyl	.	苯环	.
Pyridine	Pyridine	.	.	.	.	Pyridin	.	吡啶环	.
Working	Working	.	.	.	.	Working	.	Working	.
bounding_box-target	Calculate the Bounding Box around your moleule	.	.	.	.	Calculate the Bounding Box around your moleule	.	计算包裹分子的长方体盒子	.
Bounding Box	Bounding Box	.	.	.	.	Bounding Box	.	包裹分子的长方体	.
ZP2	ZP2	.	.	.	.	ZP2	.	ZP2	.
Batch Match	Batch Match	.	.	.	.	Batch Match	.	.	.
Russian	Russian	.	.	.	.	Russisch	.	俄语	.
<b>Add Hydrogen Atoms	Add Hydrogen Atoms	.	.	.	.	.	.	<b>Add Hydrogen Atoms	.
Random	Random	.	.	.	.	Zufall	.	Random	.
List	List	.	.	.	.	Liste	.	List	.
Next	Next	.	.	.	.	Nächster	.	Next	.
Tip Number	Tip Number	.	.	.	.	Tip Nummer	.	Tip Number	.
tip-14	t^Growing^tThere are several commands in olex2 to grow molecules. These are described below. In any case, to get back to the asymmetric unit, you need to type the command:XX fuse XXGrow grows all atoms in the asymmetric unit (including Q-peaks if they are visible). Other commands for growing/packing include 'pack' and several modes:XX mode grow XXdisplays the covalent bonds which can be grownXX mode grow -s XXshows hydrogen bonds which can be grownXX mode grow -v XXshows contacts which can be gown within specified distance from shown atoms (default is 2&Aring;, provide -v=D to specify longer distances)	.	.	.	.	.	.	.	.
largest_part-target	Center asymmetric unit contents on the largest fragment	.	.	.	.	.	.	将不对称单元中心放在最大片段上	.
Please Select	Please Select	.	.	.	.	Bitte auswählen	.	请选择	.
Centric	Centrosymmetric	.	.	.	.	Zentrosymmetrisch	.	中心对称	.
Twinned Acentric	Twinned Centrosymmetric	.	.	.	.	Verzwillingt nicht-zentrosymmetrisch	.	孪晶非中心对称	.
Acentric	Non-Centrosymmetric	.	.	.	.	nicht-zentrosymmetrisch	.	非中心对称	.
Cumulative Intensity Statistics	Cumulative Intensity Statistics	.	.	.	.	.	.	.	.
Cumulative Intensity Distribution	Cumulative Intensity Distribution	.	.	.	.	.	.	累计强度分布	.
Wilson Plot	Wilson Plot	.	.	.	.	Wilson Graph	.	Wilson Plot	.
Systematic Absences Intensity Distribution	Systematic Absences Intensity Distribution	.	.	.	.	Systematic Absences Intensity Distribution	.	系统消光强度分布	.
Most Disagreeable Reflections	Most Disagreeable Reflections	.	.	.	.	Abweichende Reflexe	.	最不合适的衍射点	.
Resolution	Resolution	.	.	.	.	Auflösung	.	分辨率	.
Completeness Plot	Completeness Plot	.	.	.	.	Vollständigkeitsgraph	.	完整度	.
Shell Completeness	Shell Completeness	.	.	.	.	Schalenvollständigkeit	.	衍射层完整度	.
Unique Data	Unique Data	.	.	.	.	Unique Data	.	独立衍射点	.
Fobs vs Fcalc	Fobs vs Fcalc	.	.	.	.	Fobs vs Fcalc	.	Fobs vs Fcalc	.
Occupancy	Occupancy	.	.	.	.	Occupancy	.	占有率	.
Parts	Parts	.	.	.	.	Parts	.	Parts	.
Atom Names	Atom Names	.	.	.	.	Atom Names	.	原子名称	.
Toggle On/Off	Toggle On/Off	.	.	.	.	Toggle On/Off	.	切换显示/隐藏	.
Fixed Parameters	Fixed Parameters	.	.	.	.	Fixed Parameters	.	固定参数	.
H Atom Labels	H Atom Labels	.	.	.	.	H Atom Labels	.	H原子标签	.
Link-Code	Link-Code	.	.	.	.	Link-Code	.	链接标记	.
tip-15	t^Packing^tThere are several commands in olex2 pack molecules. These are described below. In any case, to get back to the asymmetric unit, you need to type the command:XX fuse XXt^Pack^tXX pack R XXgenerates molecules which centre of mass is within RXX pack cell XXShows the content of the unit cellXX pack &#36;Fe XXpacks only specified atoms, -c option can be added to specify that current model should not be cleared<br>t^Move^tXX mode move -c XXonce a fragment atom is selected this mode will copy any other fragment (which is clicked) as close to the selected atom as possible	.	.	.	.	.	.	.	.
Wilson Plot cctbx	Wilson Plot (cctbx)	.	.	.	.	Wilson Graph (cctbx)	.	Wilson Plot cctbx	.
Systematic Absences	Systematic Absences	.	.	.	.	Systematische Abwesenheit	.	系统消光	.
Wilson Plot Olex2	Wilson Plot (Olex2)	.	.	.	.	Wilson Graph (Olex2)	.	Wilson Plot Olex2	.
Cumulative	Cumulative	.	.	.	.	Kumulativ	.	Cumulative	.
Reflection Statistics	Reflection Statistics	.	.	.	.	Reflexstatistik	.	衍射数据统计	.
AND	AND	.	.	.	.	UND	.	.	.
Exclude	Exclude	.	.	.	.	Auschliessen	.	.	.
Show Cumulative Intensities	Show Cumulative Intensities	.	.	.	.	Kumulative Intensitäten zeigen	.	.	.
Changing Language to	Changing Language to	.	.	.	.	Ändere die Sprache nach	.	.	.
Please wait while uploading your changes	Please Wait while uploading your changes.	.	.	.	.	Bitte warten sie, bis ihre Änerungen in der Datenbank gespeichert sind.	.	.	.
Make Graph	Make Graph	.	.	.	.	Graph erstellen	.	作图	.
Q Peak Intensities	Q Peak Intensities	.	.	.	.	Q-Peak Intnsitäten	.	Q峰强度	.
AFIX Commands	AFIX Commands	.	.	.	.	AFIX Befehle	.	AFIX命令	.
Variables	Variables	.	.	.	.	Variablen	.	变量	.
Rename	Rename	.	.	.	.	Umbenennen	.	重命名	.
Name	Name	Name	.	.	.	Benennen	.	名称	.
Close sorting	Close sorting	.	.	.	.	Sortierung schliessen	.	.	.
Default Style	Default Style	.	.	.	.	Default Stil	.	默认风格	.
Ellipsoids|H	Ellipsoids|H	.	.	.	.	Ellipsoide|H	.	椭球模型|H	.
Low Quality	Low Quality	.	.	.	.	Niedrige Qual	.	低质量图形	.
Pack Cell	Pack Cell	.	.	.	.	Zelle Packen	.	晶胞中的堆积图	.
Pack Limits	Pack to limits	.	.	.	.	Packen	.	堆积图	.
Show Basis	Show Basis	.	.	.	.	Basis zeigen	.	显示晶轴矢量	.
Show Cell	Show Cell	.	.	.	.	Zelle zeigen	.	显示晶胞	.
Shelx Compatible Constraints	Shelx Compatible Constraints	.	.	.	.	.	.	Shelx限制性精修	.
Constraint	Constraint	.	.	.	.	.	.	限制性精修命令	.
Olex2 Constraints And Restraints	Olex2 Constraints And Restraints	.	.	.	.	.	.	Olex2 规定参数和限制性精修	.
tip-16	t^Hiding Atoms and Fragments^t&&~Selected Atoms and Bonds~Any graphical object in Olex2 can be hidden from view. Right-click on the selection then Graphics>Hide will achive this.~Hide a whole Fragment~ <br> If your structure has more than one fragments, you can hide a particular fragment with Right-click and then Fragment>Hide. Other options are available there, please play with them for a bit!~Hide the whole Structure~ <<Ctrl+T>> will hide the entire structure. In fact, it will toggle between the default view of Structure + Text, Structure Only and Text Only. Any parts that have been previously hidden will be reset.&&	.	.	.	.	.	.	.	.
FMOL-help	&&  ~FMOL~Shows all fragments present in the current stucture  XX fmol XX    &&	.	.	.	.	.	.	.	.
FUSE-help	&&    ~FUSE~Shows the contents of the unit cell  XX fuse XX    &&	.	.	.	.	.	.	.	.
Q To H-target	Convert all electron density peaks to H atoms	.	.	.	.	Alle Elektronendichtepeaks in H umwandeln	.	.	.
systematic-absences-help	&&    ~Systematic Absences~  Reflections that should be systematically absent, but are in fact  observed above background. The points in the graph should be distributed  symmetrically about the origin. Deviations from this may indicate a systematic  bias in the weak data.  XX systematic_absences XX    &&	.	.	.	.	.	.	.	.
cumulative-intensity-distribution-help	&&  ~Cumulative Intensity Distribution~  The reflections are sorted out into bins, and for each reflection,  <i>z</i> = I/&lt;I&gt;, the fraction of each intensity over the local  average intensity. <i>N</i>(<i>z</i>) is the fraction of the reflections  whose intensities are less than or equal to z. Shown on the graph are the ideal  distributions expected for a centric, acentric and twinned acentric structure.<br>  For more information see:<br>   E.R. Howells, D.C. Phillips and D. Rogers, <i>Acta Cryst.</i> (1950). <b>3</b>, 210-214.  XX cumulative_intensity XX  &&	.	.	.	.	.	.	.	.
fobs-vs-fcalc-help	&&    ~Fobs vs Fcalc~  This plots the observed amplitudes against the calculated amplitudes. If the model  is a good fit for the data, the data points should form a straight line with gradient  equal to one and intercept at the origin. Reflections that have been omitted (either  individually or by angle cutoff) are also shown on the graph, but not included in  the calculation of the line of best fit.  XX fobs_fcalc XX    &&	.	.	.	.	.	.	.	.
wilson-plot-help	&&    ~Wilson Plot~  For more information see:<br>  Giacovazzo <i>et al.</i>, (2002). <i>Fundamentals of Crystallography</i>,  2nd ed. Oxford: Oxford Science Publications.  XX wilson_plot XX    &&	.	.	.	.	.	.	.	.
completeness-plot-help	&&    ~Completeness Plot~  The merged data are sorted into bins by resolution, and the percentage completeness for  each bin is calculated. A list of missing data is shown.  XX completeness XX    &&	.	.	.	.	.	.	.	.
Toolbar-Model-help	This is a collection of three basic tools needed for model building.&&~Assign Atom Types~All atom types that are currently in your formula are represented as a small button. You can click on one of these buttons and will go into an atom type assignment mode for this particular atom type. Atoms you click subsequently will become that atom type. Alternatively, you can make a selection of atoms first, and then click the atom type symbol. The buttons will appear red, if there are fewer atoms of that type in your model compared to the formula you have initially given. They turn green if the numbers do agree.XX name sel C XXXX mode name C XX~Geometrically Place Hydrogen Atoms~Pressing this button will cause Olex2 to place hydrogen atoms geometrically. If there is no selection of atoms, hydrogen atoms will be placed where possible. If there is a selection, they will only be added to the selected atoms.XX Hadd XX~Toggle Isotropic/Anisotropic~With these buttons, you can make atoms either isotropic or anisotropic. If there is no selection this will apply to all atoms; if there is a selection, then this change will only apply to the selection.XX isot XXXX anis XXn^If the tickbox is ticked, then refinement will happen automatically after changing either isot/anis or hadd.^n       TT 3D_view_tutorial,Toolbar-Model-help TT  &&	.	.	.	.	.	.	.	.
rename-history-help	You can rename any of the automatically generated histories. Click on the 'Rename' button and then type the new name directly in the drop-down box.	.	.	.	.	.	.	.	.
labels-help	You can select what you would like to see as labels in the molecule display. If a particular property is not applicable for a particular atom, there will be no label.  &&  ~Atom Names~All atom names of non-hydrogen atoms will be displayed next to the atoms.  XX labels -l XX  ~Occupancy~The occupancies will be displayed for all atoms where the occupancy is not 1.  XX labels -o XX~Parts~If an atom belongs to a particular part, the part number will be shown.  XX labels -p XX~Link Codes~If atoms are linked, the link code will be shown  XX labels -lo XX  &&	.	.	.	.	.	.	.	.
reflection-file-help	Olex2 will manage the reflection file against which you want to refine your model. Select the file from the drop-down menu and this is the file that will be used.	.	.	.	.	.	.	.	.
Automatic-Hydrogen-Naming-help	Olex2 will keep track of the naming of hydrogen atoms automatically. This feature can be switched off by unticking the 'Automatic Hydrogen Naming' box.	.	.	.	.	.	.	.	.
Growing-help	By default, Olex2 shows the asymmetric unit only.  Line before a Table.  &&~Mode Grow~will show clickable 'bonds' which will expand symmetry equivalent parts.  XX mode grow XXThere are various modifiers for this command:  ~Short Contacts~will show these growable 'bonds' to those atoms where 'short interactions' exist   XX mode grow -s XX  ~Selection~will show growable 'bonds' to other occurances of the currently selected atoms  XX mode grow -r XX  ~Van der Waals Radii~will show growable 'bonds' to other occurances of the currently selected atoms that are at least the indicated distance away from the selected atom.  XX mode grow -v 2.0 XX      TTgrow_tutorial,Growing-helpTT  &&	.	.	.	.	.	.	.	.
show-parts-help	If your structure contains atoms that have been assigned to parts, then it is sometimes useful to look only at atoms belonging to the same part.XX showP 1 XXWill show only atoms belonging to Part 1XX showP 0 2 XXWill only show atoms that don't belong to a Part and those that belong to Part 1.XX showP 0 XXWill show all atoms.	.	.	.	.	.	.	.	.
Calculate-Bounding-Box-help	A rectangular bounding box is calculated for your molecule and displayed on the screen.XX wbox XX	.	.	.	.	.	.	.	.
Calculate-Polyhedral-Volume-help	Calculates the polyhedral volume of a polyheder that is defined by the selected atom.XX calcvol XX	.	.	.	.	.	.	.	.
Calculate-Molecular-Volume-help	Calculates the Molecular VolumeXX vvol() XX	.	.	.	.	.	.	.	.
Calculate-Molecular-Isotope-Pattern-help	Simulates a molecular isotope pattern for your structureXX calcms XX	.	.	.	.	.	.	.	.
Calculate-CHN-Analysis-help	Calculates the expected values of a CHN analysis from your structure model XX calcCHN() XX	.	.	.	.	.	.	.	.
Link-Selected-help	TWO Selected atoms will be 'linked' in the refinement.&&~Occupancies~The occupancies will be linked such that the individual occupancies add up to unity.XX fvar sel XX~Parts and Occupancies~XX part -p=2 -lo sel XXThe occupancies will be linked such that the individual occupancies add up to unity and the selected atoms will be added to Parts.n^the -p parameter determines the number of parts that should be assigned. -lo stands for '<b>l</b>ink <b>o</b>ccupancy.^n&&	.	.	.	.	.	.	.	.
normal-probability-plot-help	&&    ~Normal Probability Plot~  The normal probability plot is a graphical technique for assessing whether or not  a data set is approximately normally distributed.  The weighted residuals are sorted by order of magnitude, and plotted against the  values expected for a theoretical normal distribution.  An ideal normal probability plot will be linear, with a gradient of 1 and passing  through the origin.  Large deviations from this can indicate deficiencies with the model, weights  and scaling respectively.    XX normal_probability XX    &&	.	.	.	.	.	.	.	.
fobs/fcalc-vs-resolution-help	&&    ~Fobs/Fcalc vs resolution~  This graph shows the variation of the Fobs/Fcalc ratio with resolution.  If the model  is a good match for the data, then most of the points should be close to the line  indicating an Fobs/Fcalc ratio of 1.  Deviations from this may indicate systematic  errors in the data with respect to resolution.  XX fobs_over_fcalc XX    &&	.	.	.	.	.	.	.	.
Fill the Unit Cell	Fill Unit Cell	.	.	.	.	.	.	Fill the Unit Cell	.
Short	Short	.	.	.	.	Kurz	.	Short	.
VdW	VdW	.	.	.	.	VdW	.	VdW	.
center_on-target	Centre the structure on the selected atom or the centroid of the selected atoms.	.	.	.	.	.	.	.	.
images_add_labels_to_atoms	Add labels to the selected atoms	Add labels to the selected atoms	.	.	.	.	.	.	.
images_add_labels_to_non_H_atoms	to non H atoms	to non H atoms	.	.	.	Nicht H Atome beschriften	.	.	.
images_move_labels	Move the labels with the left mouse while holding down the SHIFT key	Move the labels with the left mouse while holding down the SHIFT key	.	.	.	.	.	.	.
images_labels_tip	<b>Tip:</b> When labels are active, CTRL+A will select ALL labels. Selected labels can be <font color='#ff7800'><b>moved</b></font> while the SHIFT key is pressed and can also be <font color='#ff7800'><b>deleted</b></font> by pressing the delete key.	<b>Tip:</b> When labels are active, CTRL+A will select ALL labels. Selected labels can be <font color='#ff7800'><b>moved</b></font> while the SHIFT key is pressed and can also be <font color='#ff7800'><b>deleted</b></font> by pressing the delete key.	.	.	.	.	.	.	.
images_label_colour	Choose the label colour	Choose the label colour	.	.	.	.	.	.	.
images_label_box	Label Box	Label Box	.	.	.	Beschriftungsbox	.	.	.
images_transparent_box	Transparent Box	Transparent Box	.	.	.	Durchsichtige Box	.	.	.
images_octant_line_width	Octant Line Width	Octant Line Width	.	.	.	.	.	.	.
Lines	Lines	Lines	.	.	.	Linien	.	.	.
Bonds	Bonds	Bonds	.	.	.	Bindungen	.	.	.
images_bmp_label_olex_font	Choose Label Font (Olex2)	Choose Label Font (Olex2)	.	.	.	Beschriftungsfong(Olex2)	.	.	.
images_bmp_label_system_font	Choose Label Font (System)	Choose Label Font (System)	.	.	.	Beschriftungsfont (System)	.	.	.
Atoms	Atoms	Atoms	.	.	.	Atome	.	.	.
Font	Font	Font	.	.	.	Font	.	.	.
Octant	Octant	Octant	.	.	.	Oktant	.	.	.
images_dividing_line_width	Dividing Line Width	Dividing Line Width	.	.	.	Teilstrichdicke	.	.	.
images_bond_width	Bond Width	Bond Width	.	.	.	Binungsdicke	.	.	.
images_outline_line_width	Outline Line Width	Outline Line Width	.	.	.	.	.	.	.
images_font_weight	Weight (vis. in file)	Weight (vis. in file)	.	.	.	.	.	.	.
images_H_atom_bonds	H Atom Bonds	H Atom Bonds	.	.	.	H Bindungen	.	.	.
images_no_of_dividers	No. of Dividers	No. of Dividers	.	.	.	Teilstriche	.	.	.
brackets	brackets	brackets	.	.	.	Klammern	.	.	.
subscript	subscript	subscript	.	.	.	tiefgestellt	.	.	.
news-tag-1.1-alpha-title	+++ This is Olex2 Version 1.1-alpha +++	.	.	.	.	+++ Dies ist Olex2 Version 1.1-alpha +++	.	.	.
news-tag-1.1-alpha	This is the alpha version of the current 1.1 release of Olex2. This version will be updated very frequently, and you can expect things to go wrong from time to time. You are welcome to use this version - and if you come across anything that isn't quite right, please let us know so that we can fix it.	.	.	.	.	.	.	.	.
news-tag-1.1-beta-title	+++ This is Olex2 Version 1.1-beta +++	.	.	.	.	+++ Dies ist Olex2 Version 1.1-beta +++	.	.	.
news-tag-1.1-beta	This beta version of the current 1.1 release of Olex2 has seen some testing in alpha, but isn't quite ready to be updated to the full release version yet. This version should not have any serious bugs - so, if one of them comes crawling your way, please let us know as soon as you can that things aren't quite right.	.	.	.	.	.	.	.	.
news-tag-1.1-title	Welcome to  Olex2 Version 1.1	.	.	.	.	.	.	.	.
news-tag-1.1	This is our current release version of Olex2. This release version will be updated only after we have gone through subsential testing using the alpha and beta versions of our software. If you would like more frequent updates, please also install these other testing versions. Multiple installations of Olex2 do not interfere with each other.	.	.	.	.	.	.	.	.
graduated	Graduated Background	.	.	.	.	Verlaufshintergrund	.	.	.
htmlpanelswap-target	Swap side of HTML panel	.	.	.	.	Seitenwechsel	.	.	.
swapbg	Colour/White BG	.	.	.	.	Tapetenwechsel	.	.	.
French	French	.	.	.	.	French	.	.	.
htmlpanelswap	Swap HTML Panel	.	.	.	.	Seitenwechsel	.	.	.
swapbg-target	Swap the background from the user defined colour to white	.	.	.	.	Hintergrundwechsel Benutzerdefinierte Farbe nach Weiss und umgekehrt	.	.	.
graduated-target	Switch graduated background on/off	.	.	.	.	Verlaufshintergrund An/Aus	.	.	.
cf-help	There are various settings available that will influence the Charge Flipping Solution.  &&    ~AMPT~  Charge flipping can be done on F, E or quasiE.  ~MAPT~Maximum Attempts to find a Phase Transition  ~MACM~Maximum Attemtps to get sharp Correlation Map    ~MASI~Maximum Number of Solving Iterations  &&	.	.	.	.	.	.	.	.
news-1.1-image-headline	Fully interactive maps are now available from Tools>Maps.	.	.	.	.	.	.	.	.
change_element-target	Change atom types to	.	.	.	.	.	.	.	.
Rotate-help	Using this tool, you can control the rotation of the molecule on the screen in a somewhat more fine-grained and repeatable compared to what can be achieved with the mouse.  &&    ~Rotate around the axis x, y and z~Enter the degrees of rotation into the spin boxes, then press the buttons to rotate either in the negative or positive direction.  ~Even finer control~Using the command line, rotation about fractions of degrees are also possible:  XX rota 2 -10.2 XXThis will rotate the structure around the y axis by -10.2 degrees.    &&	.	.	.	.	.	.	.	.
anaglyph	Anaglyph	.	.	.	.	.	.	.	.
Normal View	Normal View	.	.	.	.	.	.	.	.
Stereo	Stereo	.	.	.	.	.	.	.	.
Y:-target	Rotate around Y	.	.	.	.	.	.	.	.
:Y-target	Rotate around Y	.	.	.	.	.	.	.	.
X:-target	Rotate around X	.	.	.	.	.	.	.	.
:X-target	Rotate around X	.	.	.	.	.	.	.	.
:Z-target	Rotate around Z	.	.	.	.	.	.	.	.
Z:-target	Rotate around Z	.	.	.	.	.	.	.	.
view-rotate-target	View along crystal axis a	.	.	.	.	.	.	.	.
Res	Res	.	.	.	.	.	.	.	.
Delete Mask Display	Delete Mask Display	.	.	.	.	.	.	.	.
Solvent rad.	Solvent rad.	.	.	.	.	.	.	.	.
Extended	Extended	.	.	.	.	.	.	.	.
Distance	Distance	.	.	.	.	.	.	.	.
Calculate Mask	Calculate Mask	.	.	.	.	.	.	.	.
Precise	Precise	.	.	.	.	.	.	.	.
Res. factor	Res. factor	.	.	.	.	.	.	.	.
Shrink trunc. rad.	Shrink trunc. rad.	.	.	.	.	.	.	.	.
masks-help	This is a solvent masking procedure similar to the SQUEEZE procedure implemented  in the PLATON software, and described by  P. van der Sluis and A. L. Spek, <i>Acta Cryst.</i> (1990). <b>A46</b>, 194-201.  &&    @Displaying the mask@  ~mask~  Displays the solvent accessible area.  ~f_mask~  Displays the Fourier transform of the solvent contribution to the structure factors.  ~f_model~  Displays the Fourier transform of the sum of contributions to the structure factors  of the solvent region and the ordered part of the structure.  @Parameters@  ~Resolution factor~  The grid step is chosen to be approximately equal to the high resolution limit  multiplied by the resolution factor.  ~Solvent radius~  All grid points that are a distance greater than the sum of the van der Waals radius  of an atom and the solvent radius are initially set to be inside the solvent area.  ~Shrink truncation radius~  All grid points outside the solvent area are then tested to see if they fall within  a distance defined by the shrink truncation radius of the solvent area. If this is  case, they are added to the solvent area.    ~Use set completion~  If low angle reflections are missing (even one is sometimes enough), the electron count  can be underestimated. If this option is selected, missing reflections are filled in  and allowed to 'float' throughout the Fourier transform iterations, resulting in more accurate  estimates of the true electron count.TT mapping_and_masks,masks-help TT  &&	.	.	.	.	.	.	.	.
xgrid-help	&&@Available Display Modes@  ~contour, plane~ This is an interactive slice of the map in the plane of the screen. The molecule can be rotated and also zoomed through this plane. This is done by holding down the SHIFT key while dragging the left mouse key on the area of the map or using the depth slider. The visible area of the map can be adjusted with the size slider, or by holding down the CTRL key whilst dragging the right mouse. Finally, the levels can be adjusted with the SHIFT key and right mouse. In contour mode, the number of contours can be altered with the contours slider. Positive electron density is displayed as solid lines, whilst negative electron density (holes) are displayed as dashed lines. A contour map will be included in any postscript drawing created whilst the map is displayed.~surface, wire, point~ These are all three dimensional displays of the electron density. However, the 3D display will only work if there is enough electron density to display, otherwise the 2D display will the shown. It is a good idea to start adjusting the levels in the points view, and only then to select wire or surface for a graphically more demanding display. Negative values of electron density (holes) will be displayed in a reddish colour. The extended mode will extend the grid to an array of 27 (3 x 3 x 3) unit cells~Select Volume~ A box with moveable sides will appear. Left-click on the coloured areas and then move the sides while pressing the SHIFT key. The map will be calculated only inside the defined box. You can delete the box by right-clicking on it and select 'Hide'TT mapping_and_masks,xgrid-help TT&&	.	.	.	.	.	.	.	.
refine-masks-help	Include in the refinement a solvent contribution to the structure factors as a discrete  Fourier transform of the electron density in the solvent area.  When used with smtbx-refine, the solvent contribution is added internally to that  calculated from the ordered part, whilst with SHELXL the solvent contribution is  subtracted from the observed data before passing a modified hkl file to the external   refinement program.	.	.	.	.	.	.	.	.
Uiso-Select-Slider-help	This tool allows the selection of atoms according to their U<sub>eq</sub> values.  &&    ~Slide to the RIGHT~  This will select atoms where the U<sub>eq</sub> value is LARGER than the value indicated by the slider.  XX sel atoms where xatom.uiso > 0.06&&xatom.type!='Q' XX    ~Slide to the LEFT~  This will select atoms where the U<sub>eq</sub> value is SMALLER than the value indicated by the slider.  XX sel atoms where xatom.uiso < 0.06&&xatom.type!='Q' XX  &&	.	.	.	.	.	.	.	.
refinement-masks-help	In some structures, solvent disorder can be so severe that modelling this disorder using atomic sites (i.e. partially occupied atoms) is neither possible nor sensible. In these cases, it is better to not not even attempt to model the 'affected area' -  but to simply leave the measured electron density in place. This technique requires the calculation of the area that should be 'taken out of the refinement' - and defining THAT depends on the current structure.&&~Defining the volume to be masked~  ~Use solvent mask~  Include in the refinement a solvent contribution to the structure factors as the discrete  Fourier transform of the electron density in the solvent area. The solvent mask can be calculated and displayed under Tools > Maps > Masks.  When used with smtbx-refine, the solvent contribution is added internally to that  calculated from the ordered part, whilst with SHELXL the solvent contribution is  subtracted from the observed data before passing a modified hkl file to the external   refinement program.~Recompute mask before refinement~  When ticked, the solvent mask will be recomputed before the start of the refinement.  This can lead to an improved solvent mask, particularly if the ordered part of the  structure was poorly converged before the initial mask search.&&	.	.	.	.	.	.	.	.
About-help	<b>Olex2 v1.1.5</b>&nbsp; &copy; OlexSys Ltd. 2004 &ndash; 2011<br>Oleg V. Dolomanov, Richard Gildea and Horst Puschmann	.	.	.	.	.	.	.	.
Complete Fragments	Complete Fragments	.	.	.	.	.	.	.	.
hardware	Hardware	.	.	.	.	.	.	.	.
stereo-hardware-target	Stereo is achieved by a special graphics card and monitor	.	.	.	.	.	.	.	.
stereo-colour-target	Simple stereo view. Coloured glasses are required	.	.	.	.	.	.	.	.
stereo-normal-target	Standard view	.	.	.	.	.	.	.	.
stereo-anaglyph-target	More sophisticated stereo view. Coloured glasses are required	.	.	.	.	.	.	.	.
cif-info-help	Olex2 provides a number of tools to make it simple to get a full and  correct CIF file ready for publication.  &&    ~Edit Cif Info~  This brings up a text editor which displays the current CIF data items that have  been found by Olex2 or entered manually by the user. In this window, items can be  modified or removed, or new CIF data items added, and Olex2 will remember these  changes independently of the CIF file output by the refinement program.  ~Merge Cif~  This merges the CIF data items displayed by Edit Cif Info with the CIF file output  by the refinement program.  ~Validate Cif~  This validates the current CIF file against the core CIF dictionary, cif_core.dic,  printing any errors or warnings that are found to the console.  XX ValidateCif XX    ~Report~  This creates a new CIF file if necessary (including if the existing one is not up  to date with the current model), and merges any CIF data items that are provided  by the user, before creating a html structure report.  XX Report XX  &&	.	.	.	.	.	.	.	.
Restraint	Restraint	.	.	.	.	.	.	限制	.
History Tree	History Tree	.	.	.	.	Verlaufsbaum	.	编辑历史	.
Bijvoet-differences-NPP-help	&&    ~Bijvoet differences probability plot~  For further information see:<br>  Hooft, R.W.W., Straver, L.H., Spek, A.L. (2008). <i>J. Appl. Cryst.</i>, <b>41</b>, 96-103.<br>  Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). <i>J. Appl. Cryst.</i>, <b>43</b>, 665-668.<br>  <a href='shell http://www.absolutestructure.com'>www.absolutestructure.com</a>    &&	.	.	.	.	.	.	.	.
Bijvoet-differences-scatter-plot-help	&&    ~Bijvoet differences scatter plot~  For further information see:<br>  Hooft, R.W.W., Straver, L.H., Spek, A.L. (2008). <i>J. Appl. Cryst.</i>, <b>41</b>, 96-103.<br>  Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). <i>J. Appl. Cryst.</i>, <b>43</b>, 665-668.<br>  <a href='shell http://www.absolutestructure.com'>www.absolutestructure.com</a>      &&	.	.	.	.	.	.	.	.
submit-info-help	&&  ~Get Checkcif Report~  This will send your cif file to the IUCr server specified in the settings for checking. The result will be displayed in your web browser and saved to your structure directory.  XX spy.getCheckCifReport()XX  ~Request CCDC Number~  This utility will upload your cif and fcf file to the Cambridge Structural Database. Once your files are processed in Cambridge, you will receive an e-mail with the CCDC Number, which is required for publication of crystal structures in many journals.  XX spy.ccdc_submit()XX  &&	.	.	.	.	.	.	.	.
toolbar-hydrogen_1-help	Normally, you would generate the hydrogen atom positions automatically using the HADD command. However, sometimes you might want to specify the hydrogen types manually.  &&  ~Mode HFIX~  Body text  XX hfix <atomname> XX  &&	.	.	.	.	.	.	.	.
calculate-electron-density-map-help	Clicking on this link will cause a plane to surround the molecule that will show arepresentation of how electron densities interact with each other. As you rotate themolecule through the plane it the interactions will constantly change. There is alsocolour changes round electron densities to show negative and postive charges.  &&  ~Electron Density Map~  XXspy.mapview()XX  &&	.	.	.	.	.	.	.	.
RRINGS-help	&&  ~RRings~  This command will add restraints to an aromatic ring so that all atoms in the ring will be restrained to be in a plane and all distances between the atoms will be restrained to the same value using a SADI command. You need to make sure that you have a suitable ring selected before using this command; Olex2 does not currently check for validity!  XX rrings XX  &&	.	.	.	.	.	.	.	.
TRIA-help	&&  ~TRIA~  Olex2 will generate restraints that will keep three atoms within the defined geometry. using DFIX and DANG restraints.<br> Select three atoms, starting from one of the 'outer' atoms, then the middle one, then the other outer one.<br> In the example below, the angle between the three atoms will be restrained to 108 degrees and the distance between the central atom and the two outer atoms will be 0.85A. The order in which the numbers are provided does not matter.   XX tria 109 0.85 XX  &&	.	.	.	.	.	.	.	.
Documentation	Documentation	.	.	.	.	.	.	.	.
QuickDemo	QuickDemo	.	.	.	.	.	.	.	.
PDF	PDF	.	.	.	.	.	.	.	.
Analyse &pi;-&pi; Interactions	None	.	.	.	.	.	.	.	.
ccdc-submission-options-help	There are three 'types' of submission to the CCDC:  &&  ~Private Communication~  The structure is not intended for publication, but I wish to make it available to other scientists through the CSD. I am therefore authorising the CCDC to include this data directly into the CSD.  ~Ready to Publish~  This work will be published in the journal as indicated in the cif file. Please make sure that Journal name, volume, page and year are all filled in (Report > Report Settings > Publication)  ~Unsure~  If any structure is not published within three years and no instructions have otherwise been received, the CCDC will attempt to contact you and the corresponding author by e-mail. If no response is obtained, the CCDC will retain the data indefinitely pending future publication.  &&	.	.	.	.	.	.	.	.
fit-group-help	This tool operates on a selection of atoms, which can consist of any number of atoms.   &&  ~Move One Atom~  Select one atom, then select whether you want to fit or split the atom. If you want to fit the atom, you can now move that atom with the left mouse to any position you like by pressing the SHIFT key; when you are  finished, press the ESC button.<lb> If you want to split the atom, you will now see TWO atoms, both of which you can move with the left mouse while holding the SHIFT key pressed. The occupancies of the two atoms are linked, and the atoms will now belong to different parts.  ~Move Two Atoms~ Select two atoms, then select whether you want to fit or split the group. Split will generate a duplicate group, fit will not.<lb> While pressing the SHIFT key, you can move the selection as a group. While pressing the CTRL key, you can rotate the group around the midpoint between the two atoms.  ~Move Three or more Atoms~  Select three or more atoms, then select whether you want to fit or split the group. Split will generate a duplicate group, fit will not.<lb> While pressing the  SHIFT key, you can move the entire group. You can now activate any bond around which you wish to rotate the group by  right-clicking on it. While pressing the CTRL key, you can rotate the group around this activated bond.<lb>When you are done, press the ESC key.  &&	.	.	.	.	.	.	.	.
symmetry-tools-1-help	The tools in this row are useful for re-organising parts of a structure if there are more than one moiety present in the structure.  &&  ~Move Near~  1. Select the atom to which you want to move another moiety close to. 2. Activate the mode by clicking on the 'Move Near' button. 3. Click on on atom of each moiety that you wish to move close to the previously selected atom  XX mode move XX  ~Copy Near~  1. Select the atom to which you want to copy another moiety close to. 2. Activate the mode by clicking on the 'Copy Near' button. 3. Click on on atom of each moiety that you wish to copy close to the previously selected atom  XX mode move -c XX  ~Assemble~  In cases where parts of your structure have become fragmented or 'disjointed', this command will re-assemble the fragments.  XX compaq XX  XX compaq -a XX  &&	.	.	.	.	.	.	.	.
symmetry-tools-2-help	Tools in this row will achieve centereing of the moieties in a stucture.  &&  ~Centre on Cell~  All moieties in the structure will be centred on the cell  XX move XX  ~Centre on Largest Part~  All moieties in the structure will be centred on the largest moiety  XX move XX  &&	.	.	.	.	.	.	.	.
symmetry-tools-3-help	These tool switch symmetry related items on the screen on and off.  &&  ~Show Basis~  Displays/Hides the basis vectors of this structure  XX basis XX  ~Show Cell~  Displays/Hides a drawing of the unit cell  XX cell XX  ~Quality~  Changes the quality setting in which atoms are drawn. A lower quality can be useful if the computer struggles with larger structures  XX qual -l XX  XX qual -m XX  XX qual -h XX  &&	.	.	.	.	.	.	.	.
symmetry-tools-4-help	&&  ~Fuse~  Display the asymmetric unit of the structure only. All symmetry generated atoms will be removed.  XX fuse XX  ~Grow All~  All symmetry equivalent atoms that are required to show the 'complete' structure will be generated. Of course, in the case of polymeric structures, this is somewhat arbitrary, and more controlled growing conditions will need to be employed.  XX grow XX  &&	.	.	.	.	.	.	.	.
packing-hydrogen-bonds-help	Line before a Table.  &&  ~Expand Short Contacts~  Either move the slider or enter a value in the box to determine which hydrogen bonds should be 'sprouted'. You can click on these bonds to generate the symmetry equivalent moiety.  XX mode grow -s XXThis will activate the growing mode. The distance can be set using the DeltaI command:  XX DeltaI 1.2 XX  &&	.	.	.	.	.	.	.	.
packing-radius-help	&&  ~Pack Radius~  Move the slider or enter the desired value in the box, and all symmetry equivalent moieties within this radius will be generated. e.g.  XX pack 6 XXTT packing_tutorial,packing-radius-help TT  &&	.	.	.	.	.	.	.	.
packing-limits-help	&&  ~Pack to limits~  This will pack the structure by generating all symmetry equivalent moieties within the values given in the boxes below. The default values are half a unit cell in each of the three directions on either side.  XX pack -0.5 0.5 -0.5 0.5 -0.5 0.5 XX  ~Fill Unit Cell~  This will literally fill the unit cell.  XX pack cell XX In order to complete fragments, use the   ~Complete Fragments~  XX grow -w XXTT packing_tutorial,packing-limits-help TT  &&	.	.	.	.	.	.	.	.
calculate-solvent-accessible-voids-help	&&  ~Solvent Accessible Voids~  This tool will help to calculate where solvent accessible voids are within the model  &&	.	.	.	.	.	.	.	.
Copy Near-target	Copy Near-target	.	.	.	.	.	.	.	.
Mode Grow-target	Mode Grow-target	.	.	.	.	.	.	.	.
Uiso Select Atoms	Uiso Select Atoms	.	.	.	.	.	.	.	.
Crystallographic Occupancy	Crystallographic Occupancy	.	.	.	.	.	.	.	.
Chemical Occupancy	Chemical Occupancy	.	.	.	.	.	.	.	.
This will produce a series of .bmp files in the sub-folder 'movie'	This will produce a series of .bmp files in the sub-folder 'movie'	.	.	.	.	.	.	.	.
Atom	Atom	.	.	.	.	.	.	.	.
Bond	Bond	.	.	.	.	.	.	.	.
HFIX-Quickmodes-help	This is one of the older tools in Olex2 and is due for refurbishment soon!  &&  ~Common Hydrogen constraints~  Hover over the little symbols and it will show you the constraints that will be inserted on the selected atoms (in Shelx-speak!). You can always type the code yourself after having made the selection:  &&	.	.	.	.	.	.	.	.
toolbar-hydrogen_2-help	This is one of the older tools in Olex2 and is due for refurbishment soon!  &&  ~H 'Improve'~  Another command taken straight from the XP syntax. This will move the selected hydrogen atoms along the bond axis to the distance typed in the box (or the one selected from the pre-set values in the drop-down box. The distances in the box are typical bond distances as observed by neutron diffraction.  XX himp 0.983 XX  &&	.	.	.	.	.	.	.	.
toolbar-hydrogen_3-help	This is one of the older tools in Olex2 and is due for refurbishment soon!  &&  ~Add Hydrogen~  This will geometrically place hydrogen atoms and constrain them depending on the environment the hydrogen atoms are in. If you want to refine them freely, select the atoms and type AFIX 0  XX HADD XX  ~Show Hydrogen Labels~  XX labels -h -l XX  ~Hide Hydrogen Labels~  XX labels -l XX  ~Show AFIX constraints~  XX labels -h -a XX  &&	.	.	.	.	.	.	.	.
Bob-help	Line before a Table.  &&  ~Bob~  Bob is a nice guy  XX bob XX  &&	.	.	.	.	.	.	.	.
