[cctbxbb] iterating over crystals

[Marcin Wojdyr]

I was wondering the same thing some time back.
And then I thought that it's easier and probably sufficient to use
unit cells and symmetries from the PDB. The file crystal.idx on
https://files.wwpdb.org/pub/pdb/derived_data/index/ has just this -
CRYST1 records from all entries.

On Fri, Sep 15, 2023 at 8:59 PM David Waterman <dgwaterman at gmail.com> wrote:
>
> 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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