[cctbxbb] reflection conditions for non-standard settings

Phil Evans pre at mrc-lmb.cam.ac.uk
Sat Jun 4 05:00:09 PDT 2011

I've probably got some of the relevant code buried in Pointless (using cctbx ultimately), but I'd have to look into it


On 4 Jun 2011, at 11:28, David Waterman wrote:

> Hi,
> I'm new to cctbx and to this mailing list, so please let me first apologise if the answer to this question should be obvious, or lies in the archive.
> I want a list of general reflection conditions for all space groups and settings listed in the CCP4 file syminfo.lib. At first I thought I could get this information from the online version of ITC vol A, but I soon realised that only certain standard settings are included. To avoid deriving them all by hand from the symop and cenop lines, I wonder if there is a foolproof way I can get this information from cctbx, but I don't know where to begin. Perhaps something in sgtbx?
> Many thanks
> -- David
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