[Wien] struct2cif ?

Laurence Marks L-marks at northwestern.edu
Mon Dec 15 15:20:47 CET 2008


Has anyone constructed an inverse of cif2struct? While I know of
several ways of doing this by hand, it would also be good (in the
long-term) to have a small utility to do this which, similar to a
classic cif file, which stores some additional information such as
RMTs, RKMAX etc. Just a thought.

-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.


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