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.
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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