All,
As the result of a discussion associated with the paper "Spreading the Word
About Crystallography in an International Year" in the Fall 2014 CCCE
Newsletter (Brian McMahon, R&D Officer, International Union of Crystallography
Michele Zema, IYCr2014 Coordinator, International Union of Crystallography),
CCDC has posted the CSD Student Subset CIF files on their Website.
The CheMagic Virtual Molecular Model Kit (VMK) is now set to load these files
from the CheMagic server by normal load operations in the VMK Control Panel.
These files can be loaded in the VMK per instructions associated with the Load
button on the VMK control panel. Since the CSD file keys are a bit obscure,
they are listed on this page:
http://chemagic.com/ccdc.htm <http://chemagic.com/ccdc.htm>
as links that will load the corresponding files in the VMK. The
"_chemical_name_systematic" for each key in the above webpage was pulled
directly from the CSD CIF file. Any transcription errors are mine and/or Apple
Mac Automator's.
I would like to thank CCDC and CSD for making this teaching resource available.
Thanks to Colin Groom (CCDC) for getting this ball rolling. Special thanks to
Suzanna Ward for running this ball into the end zone - AKA kicking the ball
between the sticks. Of course, thanks to Bob Belford for maintaining a forum
where chemists can discuss issues like this.
Important Note: CIF file symmetry operations are accesses via the Misc button
on the VMK control panel and the right-click Jmol menu.
Otis
PS
There is a nasty bug in the VMK Toggle Model Size button that messes up zoom.
I'm still looking for it. If you play with this, play in normal VMK view mode.
--
Otis Rothenberger
o...@chemagic.com
http://chemagic.com
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