Volume 2 Chapter 3 3D-Constrain Sub-menu *ALSUN

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ATOM-LABEL

Function

ATOM-LABEL is used to define any atom in the fragment with the result that its crystallographic atom label is saved in the output parameter table.

This can often be useful if one needs to correlate the output with the text in the published paper.

By default, atom labels are named LABn

Example

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Volume 2 Chapter 3 3D-Constrain Sub-menu ATOM-RADIUS.