即日起，將不定時(shí)更新關(guān)于Olex2自帶使用手冊(cè)《OLEX2 MANUAL (COMMANDS)》的翻譯版本《OLEX2使用手冊(cè)(指令集)》，必要的地方會(huì)輔以視頻說(shuō)明。其中有些地方原文有出錯(cuò)的地方，在中文翻譯中會(huì)更改過(guò)來(lái)。由于本人英語(yǔ)水平有限，有些翻譯可能并不到位，請(qǐng)各位讀者海涵！

該手冊(cè)可在Olex2主界面菜單欄Help下拉菜單中查看，有網(wǎng)頁(yè)版和PDF版，其中網(wǎng)頁(yè)版：Documentation?(HTML) 為Draft: December, 2010；PDF版：Documentation?(PDF) 為Draft: October, 2019

PDF版查看視頻教程：https://www.bilibili.com/video/BV1z54y1W7ij

本文是對(duì)該手冊(cè)目錄的翻譯，英文原文如下：

OLEX2 MANUAL (COMMANDS)

Contents

Introduction................................................................................................................ 3

Understanding the Syntax .................................................................................... 3

Selections and mode .............................................................................................. 4

Tables of Olex2 Commands ................................................................................. 4

Changing the Model View .................................................................................... 4

Keyboard Shortcuts ................................................................................................. 6

Fixed/Refined Parameters ..................................................................................... 7

Atom Connectivity Table Manipulation ........................................................... 8

Symmetry Operations .......................................................................................... 11

Disorder Modelling: Constraints and Restraints ........................................ 12

Selection Syntax ..................................................................................................... 17

HKL file Operations .............................................................................................. 19

Customising the Olex2 GUI ................................................................................ 20

Output: Tables, Reports and Images .............................................................. 21

Structure Analysis .................................................................................................. 23

How to...? .................................................................................................................. 26

Disorder Modelling ............................................................................................... 26

Model disorder across symmetry elements ................................................. 26

Same Site Disorder ................................................................................................ 27

Screen Display ........................................................................................................ 27

Atom Labels ............................................................................................................. 27

Using RESI ................................................................................................................ 28

RESI is a powerful ShelXL tool, by which groupings of atoms belonging to the same RESIdue class can be addressed all at once. ....................................................................................................................................... 28

Graphics and Images ............................................................................................ 28

Draw a Helical Chain around a Rod ................................................................ 28

Working with the Maps display ........................................................................ 31

Get a stereo view ................................................................................................... 31

Colour fragments uniformly .............................................................................. 32

Modifying atomic radii ........................................................................................ 33

Enable hardware 3D and antialiasing ............................................................. 33

Customising molecular display ......................................................................... 34

Tables and Reports ............................................................................................... 36

Automated parameter recalculation ............................................................... 36

Automate tables of selected parameters ...................................................... 36

Space Group Operations ..................................................................................... 36

Change P1 space group to P-1 ......................................................................... 36

Change space group settings ........................................................................... 37

Transforming the axes of a triclinic cell ......................................................... 37

Troubleshooting .................................................................................................... 37

Overlay molecules ................................................................................................. 37

Copy naming scheme from one fragment to another ............................. 38

Get esd's on geometric measurements ......................................................... 39

Pack or grow molecule(s) ................................................................................... 39

To control console and graphics visibility...................................................... 41

Select atoms that became 'too small' ............................................................ 41

Use ShelX programs in Olex2 ............................................................................ 41

Change default programs ................................................................................... 42

Fix tooltips problems ............................................................................................ 42

Rotate a group of atoms around a bond ...................................................... 42

Customise GUI toolbar.......................................................................................... 43

Customising Olex2 Shortcuts and main menu bar .................................... 43

Work with idealised and regularised groups and AFIX instructions ....................................................................................................................................... 43

Troubleshooting .................................................................................................... 44

libpng library problem on Linux ....................................................................... 44

Appendix .................................................................................................................. 45

About Versions and Tags .................................................................................... 45

Installing Olex2 ....................................................................................................... 45

Extension Modules ................................................................................................ 46

Installing Extension Modules ............................................................................ 46

Installation from Olex2 (Online)........................................................................ 46

Offline Installation ................................................................................................ 47

Available Modules ................................................................................................. 47

ReportPlus ................................................................................................................ 47

DrawPlus ................................................................................................................... 47

External Programs ................................................................................................. 48

List of external packages used in Olex2 ........................................................ 48

Credits ....................................................................................................................... 48

翻譯成中文后，對(duì)于標(biāo)題進(jìn)行了一點(diǎn)排版，并且由于還未正本翻譯完成，因此暫無(wú)頁(yè)碼，中文翻譯如下：

OLEX2使用手冊(cè)(指令集)

目錄

1.?前言

1.1.?語(yǔ)法理解

1.2?選擇和模式

2. Olex2指令集表

2.1.?更改模型視圖

2.2.?鍵盤快捷鍵

2.3.?固定/精修參數(shù)

2.4.?原子連通性表操作

2.5.?對(duì)稱操作

2.6.?處理無(wú)序模型：約束和限制

2.7.?選擇語(yǔ)法

2.8. HKL文件操作

2.9.?自定義Olex2圖形用戶界面(GUI)

2.10.?輸出：表格、報(bào)告和圖像

2.11.?結(jié)構(gòu)分析

3.?如何……？

3.1.?無(wú)序模型處理

3.1.1.?處理穿過(guò)對(duì)稱元素的無(wú)序模型

3.1.2.?共占位無(wú)序

3.2.?屏幕顯示

3.2.1.?原子標(biāo)簽

3.3.?使用RESI

3.3.1. RESI是一個(gè)強(qiáng)大的ShelXL工具，通過(guò)它可以同時(shí)處理屬于同一RESI類的原子群

3.4.?圖形和圖像

3.4.1.?繪制一個(gè)繞柱螺旋鏈

3.4.2.?電子密度圖的顯示

3.4.3.?獲取立體視圖

3.4.4.?對(duì)片段均勻著色

3.4.5.?修改原子半徑

3.4.6.?啟用硬件3D和圖形保真

3.4.7.?自定義分子顯示

3.5.?表格和報(bào)告

3.5.1.?自動(dòng)化參數(shù)重新計(jì)算

3.5.2.?自動(dòng)化所選參數(shù)表

3.6.?空間群操作

3.6.1.?將P1空間群更改為P-1

3.6.2.?更改空間群設(shè)置

3.6.3.?轉(zhuǎn)換三斜晶胞的軸

3.7.?故障排除

3.7.1.?疊加分子

3.8.?將命名方案從一個(gè)片段復(fù)制到另一個(gè)片段

3.9.?獲取幾何測(cè)量的估計(jì)標(biāo)準(zhǔn)偏差(esd)

3.10.?堆積或生長(zhǎng)分子

3.11.?控制操縱臺(tái)和圖形可見性

3.12.?選擇變得“太小”的原子

3.13.?使用Olex2中的ShelX程序

3.14.?更改默認(rèn)程序

3.15.?修復(fù)提示信息問(wèn)題

3.16.?使一個(gè)原子集繞一根鍵旋轉(zhuǎn)

3.17.?自定義GUI工具條

3.18.?自定義Olex2快捷鍵和主菜單欄

3.19.?用AFIX命令處理理想化和規(guī)則化的基團(tuán)

4.?故障排除

4.1. Linux中的libpng庫(kù)問(wèn)題

5.?附錄

5.1.?關(guān)于版本和標(biāo)記

5.2.?安裝Olex2

6.?擴(kuò)展模塊

6.1.?安裝擴(kuò)展模塊

6.1.1.?從Olex2中安裝(在線)

6.1.2.?脫機(jī)安裝

6.2.?可用模塊

6.2.1. ReportPlus

6.2.2. DrawPlus

6.3.?外部程序

7.. Olex2中使用的外部程序包列表

8..?信用