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#974 Bug in CIF input and monoclinic space groups

2.3.x
open
nobody
None
1
2016-04-18
2016-04-18
No

Monoclinic cif files (produced by a crystallography program) are not generated the correct atoms for space groups P2/c or P2 . I attach the files here. I am running the latest release I think, from github (https://github.com/openbabel/openbabel) and it builds as Open Babel 2.3.90 -- Apr 18 2016 -- 10:50:49 . I also attach output from Crystalmaker which is correct, and a correct version I generated from vesta. Thank you for any help!

Ron


Ronald Cohen
Geophysical Laboratory
Carnegie Institution
5251 Broad Branch Rd., N.W.
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rcohen@carnegiescience.edu
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skype: ronaldcohen
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