[cctbxbb] iterating over crystals

David Waterman dgwaterman at gmail.com
Fri Sep 15 11:59:00 PDT 2023


Hi folks,

I'm testing some code changes and would like to iterate over every space
group and for each generate a random unit cell compatible with the Bravais
symmetry. I've got the iteration sorted with space_group_symbol_iterator,
but I'm not sure how best to generate some compatible unit cell from the
space_group object. Is this something I could do easily with cctbx?

Cheers,
-- David
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