Actually I think the problem may be more general than reading cif files. It
seems to be specific to the monoclinic groups with b-axis unique (standard)
settings, but I am not sure.
Ron
---
Ronald Cohen
Geophysical Laboratory
Carnegie Institution
5251 Broad Branch Rd., N.W.
Washington, D.C. 20015
rco...@carnegiescience.edu
office: 202-478-8937
skype: ronaldcohen
https://twitter.com/recohen3
https://www.linkedin.com/profile/view?id=163327727
On Mon, Apr 18, 2016 at 4:58 PM, Cohen, Ronald <rco...@carnegiescience.edu>
wrote:
> I have complex cif files (produced by a crystallography program) and it is
> not generating the correct atoms for the space groups P2c or P2 . I attach
> the files here. The cif format is quite complex, so it is not so easy to
> see what is the problem. I downloaded and built the latest release on
> 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 seems to be correct. Thank you for any help!
>
> Ron
>
> ---
> Ronald Cohen
> Geophysical Laboratory
> Carnegie Institution
> 5251 Broad Branch Rd., N.W.
> Washington, D.C. 20015
> rco...@carnegiescience.edu
> office: 202-478-8937
> skype: ronaldcohen
> https://twitter.com/recohen3
> https://www.linkedin.com/profile/view?id=163327727
>
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