Tutorial for Read/Write CIF tool - PowerPoint PPT Presentation

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Tutorial for Read/Write CIF tool

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

  2. Arsenopyrite imported from Crystallography Open Database http://sdpd.univ-lemans.fr/cod/search.html (2) Depress (1) cut and paste from Web search CIF files with deficient syntax can be imported and edited into the Edit tool instead. unusual space-group symbol

  3. The Toolkit got no problems with the space group

  4. The distances and angles

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

  6. Transformation to P21/c is proposed. Accept.

  7. Let’s produce a CIF file for this model Z=4 (2) Depress (1) Select

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

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

  10. End of Read/Write CIF tool tutorial