原文如下：

Customising molecular display

Olex2 provides a number of tools to customise the graphical display for picture production. Some of the customisation is described above the Colour fragments uniformly section. All graphical objects in Olex2 belong to groups. The default atom groups are groups by element type, the next, more detailed group is by atom name and the final group, which Olex2 can create automatically also include the symmetry generating the atom, thus containing a single, unique atom. It is very similar with bonds. Currently existing groups and their usage can be listed using ‘lstgo’ command. Opening a different file or using ‘default’ command clears the groups’ customisation. Typical use of the groups by atom name is for packing – customisation to atoms or bonds done in the asymmetric unit will be also included into any packing of the molecules.

Any of the Olex2 graphical objects consists of ‘primitives’. These can be added or removed to the object thus changing its appearance. Primitives are a part of the group into which the atoms or bond belong and therefore undergo the same convention as the material group’s properties. There are a few commands which allow operating on groups, their primitives and primitive material:

• Mask - changes the primitives available in the group. The command can be applied to a selection or a named group. For example ‘mask C-C 0’ will make C-C bonds invisible; ‘mask C-C 256’ will render C-C bonds a stippled cone. The numeric value is a bitmask for the primitives to enable.

• GetMaterial – returns material properties of a named primitive. For example ‘echo GetMaterial(N.Sphere)

• SetMaterial – sets material of a named primitive to the given material string value. For example it can be used to copy material of one primitive onto the other like “SetMaterial ‘destination primitive name’ ‘material string’” where ‘material string’ can be a call to GetMaterial

• Individualise – creates a more specialised group

• Collectivise – joins a specialised group with the parent group (reverts effects of the ‘individualise’). Note that if no argument provided (and the selection is clear) all previous group operations are undone an only default groups remain (same as ‘clear style’).

There are two dialogs available to control groups, their primitives and primitive material. The dialogs are accessible through the object context menu ‘Graphics->Draw style’ and ‘Graphics->Primitives’. The Bond and Atom primitives dialogs are shown in Figure 3. View of the bond primitives. and Figure 4. View of the atom primitives.

The ‘Material properties’ dialog is shown in Figure 5. View of the atom material properties dialog.

It is possible to group graphical objects (such as atoms or labels). Each of the grops can then be assigned different visual properties.

For example, you may want to change the label colour of some (but not all) labels in the picture. You can achieve this by selecting the labels you want to collect in a group call ‘red_labels’ and typing

>>name collection red_label

You can then Right-Click on one of the labels in this group and select ‘Draw Style’. Any graphic properties you set here will apply to all labels in this group.

Alternatively, you can get the same dialoge box by typing:

>>editmaterial red_label

When you ‘fuse’ the structure, or refine again, the label colour is lost. But the properties of the ‘red_label’ collection is remembered, so if you need to re-make an image, you just need to add the objects to the relevant collection again.

You can use this technique to make the label colour of Atom Labels different from the Bond Labels.

譯文如下：

3.4.7. 自定義分子顯示

Olex2為圖像生成提供了一系列的工具用于自定義圖形顯示。前面“3.4.4. 對片段均勻著色”部分已經(jīng)列舉了部分。Olex2中的所有圖形都屬于組合。默認(rèn)的原子組合按照原子類型分組，下一個更詳細(xì)的組合按照原子名稱分組，而Olex2可以自動創(chuàng)建的最后一個組合也包括生成原子的對稱性，因此包含一個僅有的唯一的原子。這與鍵非常相似?？梢允褂谩發(fā)stgo”指令列出當(dāng)前存在的組合及其用法。打開不同的的文件或使用“default”指令可以清除組合自定義設(shè)置。按原子名稱分組的典型用法是堆積——在不對稱單元中完成的對于原子或鍵的自定義設(shè)置也將應(yīng)用于堆積出來的任意分子。

任何Olex2圖形對稱均包含“primitives(基元)”。這些可以添加到對象中或從對象中刪除從而更改其外觀。Primitives(基元)是原子或鍵所屬的組合的一部分，因此與組合的材料屬性具有相同的協(xié)議。以下為數(shù)個允許對組合的基元和基元材質(zhì)進(jìn)行操作的指令：

• Mask：更改組合中可用的基元。該指令可應(yīng)用于選定或指定的組合。例如，“mask C-C 0”將使得C-C鍵不可見；“mask C-C 256”將使C-C鍵呈點狀圓柱體。數(shù)值為要啟用的基元的位掩碼。

• GetMaterial：返回指定基元的材質(zhì)屬性。例如“echo GetMaterial(N.Sphere)”。

• SetMaterial：將指定基元的材質(zhì)設(shè)置為給定的材質(zhì)字符串值。例如，它可以用于將一個基元的材質(zhì)復(fù)制到另一個基元上，如“SetMaterial 'destination primitive name' 'material string'”，其中“material string”可以是對GetMaterial的調(diào)用。

• Individualise：創(chuàng)建一個更特殊的組合

• Collectivise：使特殊組合成為母體組合(還原“individualise”的效果)。請注意，若未提供任何參數(shù)(且選擇已清除)，則所有之前的組合操作都將撤銷，只保留默認(rèn)組合(同“clear style”)。

有兩個對話框可用于控制組合的基元和基元材質(zhì)。對話框可以通過對象右鍵菜單“Graphics > Draw style”和“Graphics > Primitives”訪問。

也可以對圖形對象進(jìn)行組合操作(就像原子或鍵)。然后可以為每個組合分配不同的視覺屬性。

例如，你可能想要更改圖片中的某些(不是所有)標(biāo)簽的顏色。你可以通過以下操作實現(xiàn)此功能，選擇你想要分入名為“red_label”組合的標(biāo)簽并鍵入：

>>name collection red_label

然后你可以在該組合中的其中一個標(biāo)簽上單擊鼠標(biāo)右鍵并選擇“Draw style”。此處進(jìn)行的任何圖形屬性設(shè)置將應(yīng)用于所有屬于該組合的標(biāo)簽。

或者，獲取相同對話框你可以鍵入：

>>editmaterial red_label

當(dāng)你使用“fuse”指令回到不對稱單元或者再次精修，則上述操作設(shè)置的顏色將消失。但“red_label”集合的屬性已經(jīng)記錄下來，所以如果你想重新繪制一張圖片，你只需要再次將對象添加到相關(guān)集合即可。

你可以使用此技術(shù)將原子標(biāo)簽和鍵標(biāo)簽設(shè)置為不同的顏色。

輔助視頻如下：

3.4.7-自定義分子顯示

https://www.bilibili.com/video/BV1uy4y1e7E8

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