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Re: [sdpd] Modification CIF for PXRD generation

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Subject: Re: [sdpd] Modification CIF for PXRD generation
From: Armel Le Bail <armel.le_bail...@univ-lemans.fr>
Date: Wed, 23 Feb 2011 10:49:29 +0100
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>Is there any program which allows to simulate a PXRD patterns making 
>changes in
>the original CIF file?
>I am looking for simulating the rotation of a C-C bond beteewn two aromatic
>rings and how this could affect to the PXRD pattern.

Mercury from CCDC calculates the PXRD from a CIF :
http://www.ccdc.cam.ac.uk/free_services/mercury/downloads/

Best wishes,

Armel Le Bail



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Follow-Ups:
- RE: [sdpd] Modification CIF for PXRD generation
  - From: Michael Glazer <glazer...@physics.ox.ac.uk>

References:
- [sdpd] Fw: Please confirm your request to join sdpd
  - From: lisha kurup <lisha_pratyush...@yahoo.co.in>
- [sdpd] Modification CIF for PXRD generation
  - From: Breogán Pato <breogan22...@yahoo.es>

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