Maybe not. I did find one that Henry Rzepa had up on his site; it appears to
be from an older version of CrystalMaker, and the latest version of
CrystalMaker doesn't read it. So I'd say it's not important.
I did go ahead and add thermal ellipsoid reading to the SHELX reader. That
reader hadn't been looked at in a very long time.
Bob
2010/3/1 Angel Herráez <[email protected]>
> Robert Hanson wrote:
> >
> > The JUnit test passes, so there may not be any problem. One thing I
> > could not find were Crystal Maker "cmdf" files, and as part of this I
> > am upgrading ShelxReader, which includes that.
>
> Bob, do you need sample Crystal Maker files? I might get some from a
> colleague.
>
>
>
>
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
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Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
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http://p.sf.net/sfu/intel-sw-dev
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