[cctbxbb] Lattice options & changes of basis

[Nat Echols]

On Mon, Sep 19, 2011 at 11:13 AM, <Graeme.Winter at diamond.ac.uk> wrote:

>  I have a Bravais lattice and cell, say oP and 20, 30, 40, 90, 90, 90 –
> what I would like back is a list of pointgroup, cell, reindexing operation
> for all compatible unique settings i.e. 1 x P1, 3 x P2, 1 x P222 – from a
> Python loop. At the moment I run iotbx.lattice symmetry and grep the
> results, which is not a great idea. It would also be useful to give the
> reindex operations to centred lattices.
>

+1

I've been wanting to add this to the Phenix GUI for a while - reindexing is
non-trivial right now if you don't know the operations already.

-Nat
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