Tutorial for Read/Write CIF tool (1) Select (2) Depress.

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Presentation transcript:

Tutorial for Read/Write CIF tool (1) Select (2) Depress

Arsenopyrite imported from Crystallography Open Database (1) cut and paste from Web search (2) Depress CIF files with deficient syntax can be imported and edited into the Edit tool instead. unusual space-group symbol

The Toolkit got no problems with the space group

The distances and angles

Transform to conventional setting (1) Select (2) Depress Note: Z=8

Transformation to P21/c is proposed. Accept.

Z=4 (1) Select (2) Depress Lets produce a CIF file for this model

(1) Select (2) Depress Write a CIF file for the model in memory

This CIF can be cut-and-pasted into another package Arsenopyrite is now described in P21/c

End of Read/Write CIF tool tutorial