Volume 2 Chapter 3 3D-Constrain Sub-menu ATOM-LABEL

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

Select ATOM-LABEL

Select or type items for ATOM-LABEL. If necessary reselect
ATOM-LABEL to end input.
Select CANCEL to cancel command.

Select atom number 1
1 appears in the dialogue area
A red + appears at atom 1 in the fragment.
Select ATOM-LABEL
In the summary area we now have:
```
LAB1 1
```
This line is displayed in green to indicate that it is a DEFINE command.
The red cross at atom 1 in the fragment vanishes.
In the dialogue area we now have the "home" prompt:
```
Search for ALL crystal fragments
OVERLAP of crystal fragments permitted
Select a menu command or TO-BUILD to return to the BUILD menu.
```
The resultant command in the instruction document is:
```
DEFINE  LAB1  1
```

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