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Re: [sdpd] Query - CIF formats and readers
>1. Is there any de-facto standard of a "minimum" CIF file to produce a
>picture? I'm developing structure determination software and want to be
>able to write CIF files for visualizing progress of the candidate
>solution(s).
Brian Toby might be the best person to contact over this as he
is the chair of the IUCr COMCIFS Powder Diffraction Dictionary
Maintenance Group
http://www.iucr.org/iucr-top/lists/pddmg/index.html
>
>2. What Rietveld programs will write CIF files? I know that GSAS does; any
>others?
Rietica Rietveld by Brett Hunter will import CIF files (from the Model Phases
menu):
http://www.rietica.org
=====================
MAUD for Java by Luca Lutterotti is also based around reading and writing CIF
http://www.ing.unitn.it/~luttero/maud/
http://www.ccp14.ac.uk/ccp/web-mirrors/lutterotti/~luttero/maud/
>From the MAUD Help:
"The program may import crystal structures from the ICSD
database, by exporting CIF formatted structures from it.
Maud databases and analysis files are ASCII files in CIF format (enriched
by additional terms I never found in the CIF dictionary) and can be
edited manually."
Others?
---
Lachlan.
-----------------------
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
Birkbeck University of London and Daresbury Laboratory
Postal Address: CCP14 - School of Crystallography,
Birkbeck College,
Malet Street, Bloomsbury,
WC1E 7HX, London, UK
Tel: (+44) 020 7631 6850 Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick...@dl.ac.uk Room: B091
WWW: http://www.ccp14.ac.uk/
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