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Re: [sdpd] Query - CIF formats and readers
Then what's the practical powder cif format used and readable by other
visualization program? What program will also read the profile data appended
at the end of the powder cif?
In my experience, cif file generated by GSAS is readable by Diamond only,
not readable by gretep or atoms.
SeanO
----- Original Message -----
From: "Lachlan Cranswick" <L.M.D.Cranswick...@dl.ac.uk>
To: <sdpd...@yahoogroups.com>
Sent: Saturday, March 30, 2002 8:52 AM
Subject: 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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>
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