[cctbxbb] reflection conditions for non-standard settings

David Waterman dgwaterman at gmail.com
Sat Jun 4 03:28:31 PDT 2011


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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