Hi all,
With all the file converters floating around, what are the chances that we
are going to proliferate files with corrupted formats? I have gotten some
files already that were supposed to be "GSAS files" but didn't have 80
columns, had blank lines, etc., and I assume they were made by file
converters that created the wrong format. Has anybody else run into this?
I'm asking this because I myself want to write a file converter to add to my
program "Crystal Cracker," but I'm a little nervous about distributing it in
case I make mistakes in the output format. Input is one thing, mistakes are
obvious, but output is quite another - the mistakes might not be noticed
until 3 AM at a beamline somewhere.
If anyone can think of a way to prevent this (standard open-source file
converters?) that would be great.
- Kurt
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Kurt Leinenweber
Department of Chemistry
Arizona State University
Tempe, AZ 85287-1604
Phone: (480)-965-8853
Fax: (480)-965-2747
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-----Original Message-----
From: Armel Le Bail [mailto:[EMAIL PROTECTED]
Sent: Friday, March 05, 2004 10:54 AM
To: [EMAIL PROTECTED]
Hi,
>Have you had any response to your query? I also need to translate a CIF
>file to hkl, d space and intensities. Thank you.
No answer corresponding to a complete program doing directly
the job.
I received advice to use XTAL :
http://xtal.sourceforge.net/
or/and CIFTBX :
http://www.bernstein-plus-sons.com/software/ciftbx/
My own idea was to use either my own obsolete Rietveld
source code, removing useless parts and adapting the
entry to CIF files, or some Lazy-Pulverix code. I will do it,
but I don't know when (for translations from COD and PCOD
data)... It will be available as open-source (in a few months??).
Certainly, codes exist, but they are owned by crystallography-
related commercial companies or 'not for profit" ones.
Armel
PS - G. Courbion was informed about these NAC queries.
But this is week-end, be patient...
