原文如下：

Understanding the Syntax

Selection: If one or more atoms are selected on the screen, then any command that acts on a selection will apply to the?selected atoms only. If there is no selection, it will apply to?all?atoms. Instead of making a selection on the screen, a list of atom names can also be supplied.?If a command has been successful, the selection will disappear. (Although there are a couple of exceptions to this rule)

Mode: If Olex2 is in a?Mode, the chosen action will be applied to all subsequently clicked atoms. The mouse pointer will change from the default arrow symbol to signify that Olex2 is in a mode. To get out of a mode, simply press the?ESC?key.

Syntax used in this document:

{a, b, c}: choice of a, b or c. For example: fix {occu, xyz, Uiso} [atoms] means 'fix occu [atoms]', 'fix xyz [atoms]', 'fix Uiso [atoms]'.

[val=2]: optional parameter. This parameter is not required for the command to work, and if it is not supplied, the default value will be used.

-k: This is an option switch.

i: Italic characters are used for variables.

[atoms]?means an optional list of atoms. Any atoms that are selected will automatically be present in this list. If there are no selected atoms,?all?atoms will be in this list. Alternatively, the atom names of the atoms that should appear in this list can be typed by hand.

atoms?means a compulsory list of atoms. Any atoms that are selected will automatically be present in this list. Alternatively, the atom names of the atoms that should appear in this list can be typed by hand.

Capital Letters?are used for commands that will directly affect the structure model in the refinement. These commands will become part of the structure model and will appear in the ShelX input file. Please note that these commands can be typed either in upper or lower case.

Example Commands?are represented in this format:?refine 4 20?and can be typed exactly as they are given. In this example, the structure will be refined with 4 refinement cycles and 20 electron density peaks will be returned from the electron density map integration.

譯文如下：

1.1.? 語(yǔ)法理解

選擇：若屏幕中的一個(gè)或多個(gè)原子被選中，則作用于選擇的任何指令將只應(yīng)用于選定的原子。若未作選擇，則應(yīng)用于所有原子。也可以提供原子名稱列表來代替在屏幕上進(jìn)行選擇。若指令成功，選擇將消失。(盡管這條規(guī)則有幾個(gè)例外)

模式：若Olex2處于某種模式，則所選操作將應(yīng)用于所有隨后點(diǎn)擊的原子。鼠標(biāo)指針將從默認(rèn)的箭頭符號(hào)更改為表示Olex2處于某種模式的符號(hào)。要退出模式，只需按下Esc鍵。

本文檔中使用的語(yǔ)法：

{a, b, c}：選擇a、b或c。例如：fix {occu, xyz, Uiso} [atoms]表示“fix occu [atoms]”，“fix xyz [atoms]”，“fix Uiso [atoms]”。

[val=2]：可選參數(shù)。此參數(shù)不是指令工作所必需的，若未提供，將使用默認(rèn)值。

-k：這是一個(gè)選項(xiàng)開關(guān)。

i：斜體字符用于變量。

[atoms]表示可選的原子列表。任何被選定的原子都將自動(dòng)出現(xiàn)在此列表中。若無選定原子，則所有原子都將在此列表中?；蛘?，應(yīng)當(dāng)出現(xiàn)在此列表中的原子的原子名稱可以手動(dòng)鍵入。

atoms表示強(qiáng)制的原子列表。任何被選定的原子都將自動(dòng)出現(xiàn)在此列表中?；蛘撸瑧?yīng)當(dāng)出現(xiàn)在此列表中的原子的原子名稱可以手動(dòng)鍵入。

Capital Letters(大寫字母)用于直接影響精修中的結(jié)構(gòu)模型的指令。這些指令將成為結(jié)構(gòu)模型的一部分，并將出現(xiàn)在ShelX輸入文件中。請(qǐng)注意，這些指令可以用大寫或小寫輸入。

Example Commands(示例指令)以如下格式表示：refine 4 20，并且可以完全按照給定格式鍵入。在本例中，將對(duì)結(jié)構(gòu)進(jìn)行4輪精修，并且將從電子密度圖積分中返回20個(gè)電子密度峰。(即精修4輪，顯示20個(gè)Q峰)

輔助視頻：https://www.bilibili.com/video/BV1rv411a7Gi?pop_share=1