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1. 前言(OLEX2使用手册(指令集))

2021-02-17 09:34 作者:DJ_Tokyo  | 我要投稿

原文如下:


Introduction


There is no special console window in Olex2 – the commands described in this document can be typed where ever you are in Olex2 and the text you type (as well as the program response) will appear in the bottom left hand corner of the main window. The text will then scroll up behind the displayed molecule. The number of lines of text that are visible can be set with the command lines n. You can also toggle between showing the molecule only, showing the text only and showing both at the same time (default) using CTR+T. You can always examine the text output in your default text editor by typing text.


Many commands in Olex2 are modelled on the syntax that may be familiar from SHELX: four letter commands, where the letters often provide a hint about the function of the command. Many commands that are available in XP, for example, can be used in Olex2. Also, all commands of the ShelXL and ShelXS syntax are interpreted by Olex2 and used to construct the internal Olex2 structure model. This model is then used directly to carry out an olex2-refine refinement, whereas a shelx.ins file is generated on the fly if ShelXL/XH is chosen for the refinement.


All commands in Olex2 will auto-complete when pressing the TAB key. If the completion is not possible, because there is more than one command starting with the letters that have been typed, a list of these commands will be printed. It is good practice to use the auto-complete feature!


译文如下:


1. 前言


Olex2中没有特殊的控制台窗口——本文档中描述的指令集可以在Olex2中的任何位置键入,并且键入的文本(以及程序响应)将显示在主窗口的左下角。文本将在显示的分子后面向上滚动。可以使用指令lines n来设置可见文本的行数。可以使用快捷键Ctrl + T仅显示分子模型仅显示文本两者同时显示(默认)之间进行切换。用户可以通过键入text在默认文本编辑器中检查文本输出。

 

Olex2中的许多指令都是以SHELX中常见的语法为模型的:四字母指令,其中的字母通常提供有关指令功能的提示。例如,在XP中可用的许多指令都可以在Olex2中使用。此外,ShelXL和ShelXS语法的所有命令均由Olex2解释,并用于构建内部Olex2结构模型。然后直接使用此模型执行olex2-refine精修,若选择ShelXL/XH作为精修程序则生成shelx.ins文件。

 

当按下TAB键时,Olex2中的所有指令将自动完成。若无法完成,那是因为有多个指令以已键入的字母开头,此时程序将打印这些指令的列表。使用自动完成功能是一个很好的实践!


辅助说明视频:https://www.bilibili.com/video/BV1Tv411v7vD

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