Given an mmcif file, how can I systematically convert any _symmetry.space_group_name_H-M
value into a set of coordinate transformations on the fractional coordinates of a structure?
At the moment I'm not even sure where I can find a definitive listing of all values that could be used in _symmetry.space_group_name_H-M
. Obviously the values are limited by the possible symmetry groups but my problem is that I'm not sure where to find a comprehensive list of the text values that might be used for _symmetry.space_group_name_H-M
. This seems like something that's hiding in an IUPAC table somewhere but I don't know where.