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1. 前言(OLEX2使用手冊(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!


譯文如下:


1. 前言


Olex2中沒有特殊的控制臺窗口——本文檔中描述的指令集可以在Olex2中的任何位置鍵入,并且鍵入的文本(以及程序響應(yīng))將顯示在主窗口的左下角。文本將在顯示的分子后面向上滾動。可以使用指令lines?n來設(shè)置可見文本的行數(shù)??梢允褂每旖萱ICtrl + T僅顯示分子模型,僅顯示文本兩者同時顯示(默認(rèn))之間進(jìn)行切換。用戶可以通過鍵入text在默認(rèn)文本編輯器中檢查文本輸出。

?

Olex2中的許多指令都是以SHELX中常見的語法為模型的:四字母指令,其中的字母通常提供有關(guān)指令功能的提示。例如,在XP中可用的許多指令都可以在Olex2中使用。此外,ShelXL和ShelXS語法的所有命令均由Olex2解釋,并用于構(gòu)建內(nèi)部Olex2結(jié)構(gòu)模型。然后直接使用此模型執(zhí)行olex2-refine精修,若選擇ShelXL/XH作為精修程序則生成shelx.ins文件。

?

當(dāng)按下TAB鍵時,Olex2中的所有指令將自動完成。若無法完成,那是因為有多個指令以已鍵入的字母開頭,此時程序?qū)⒋蛴∵@些指令的列表。使用自動完成功能是一個很好的實踐!


輔助說明視頻:https://www.bilibili.com/video/BV1Tv411v7vD

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