原文如下：

Space Group Operations

Change P1 space group to P-1

Identify two atoms related by the center of inversion, select them and type

>> echo ccrd()

to get coordinates of the point between the selected atoms. This will be fractional coordinates of the proposed centre of inversion as 'x,y,z'. The type:

>> push -x -y -z

to move the content of the asymmetric unit so that the centre of inversion now is at (0,0,0). Then type:

>>changesg P-1

to change the space group. Olex2 will try to remove the symmetry related atoms, however if the atoms do not overlap within some value, they have to be removed manually or by typing:

>>fuse r

command, where r is the radius within which atoms of the same type get merged into a single one.

Sometimes the molecule looks 'broken' after this operation and the command 'compaq -a' has to be executed to assemble the molecule.

译文如下：

3.6. 空间群操作

3.6.1. 将P1空间群更改为P-1

确定两个关于反演中心相关的原子，选中它们并键入：

>>echo ccrd()

得到选定原子中点的坐标。这将是假定反演中心的分数坐标，即“x,y,z”。键入：

>>push -x -y -z

移动不对称单元的内容使得反演中心的坐标为(0,0,0)。然后键入：

>>changesg P-1

更改空间群。Olex2将尝试去除对称相关的原子，但若原子未在某些数值范围内重叠，它们需要手动去除或通过键入：

>>fuse r

指令，其中r为同一类型原子合并成单个原子的半径。

有时在此操作后分子看起来是“碎裂的”，此时需要用执行指令“compaq -a”用于组装“碎裂的”分子。

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