[cctbxbb] Find special positions for a spacegroup in sgtbx

[Tristan Croll]

If there isn't already a pre-existing method in CCTBX, I recently did
something along these lines using ChimeraX and Clipper (drawing all the
symmetry axes in a unit cell - see attached example). The source code is
at
https://github.com/tristanic/chimerax-clipper/blob/master/src/geometry/symmetry_axes.py
- should be fairly straightforward to port the logic to CCTBX.

On 2020-03-22 12:00, Collins, Steve (DLSLtd,RAL,SCI) wrote:

> Hello, 
> I'm trying to find something I can run from Python to get all the special (high-symmetry) positions and usual (e.g. Wyckoff) labels for a particular space group. I can't find this in the sgtbx documentation. Does anyone know if it can be done? Or maybe a different package? 
> Thanks - and stay safe! 
> Steve Collins 
> 
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