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reading crystal structure files
- Subject: reading crystal structure files
- From: Kristian Kjaer <Kristian.Kjaer(at)Risoe.Dk>
- Date: Sat, 30 Sep 2000 21:38:05 +0200
- Newsgroups: comp.lang.idl-pvwave
- Organization: Risoe National Laboratory
- Xref: news.doit.wisc.edu comp.lang.idl-pvwave:21595
Has anyone written something in IDL to read crystal structure files
in any of the following formats:
pdb (http://www.rcsb.org/pdb/ ; "Protein Data Bank"
cif (http://www.iucr.ac.uk/iucr-top/cif/ ; "IUCr Crystallographic
Information File"
shelx (http://shelx.uni-ac.gwdg.de/SHELX/)
etc.
Thanks for any pointers,
Kristian Kjær
Risø National Laboratory
Denmark