Dear All,
I am trying to reconstruct an entire unit cell from an cctbx.xray.structure object that contains the scatterers in the asymmetric unit. Ideally, I'd call a method that does the work for me, but at least I would like to obtain a list of the symmetry transformations that must be applied. That information must be somewhere in there... but where?
Konrad.
An cctbx.xray.structure object has a method called space_group() I believe. Check out this example: http://phenix-online.org/cctbx_sources/cctbx/cctbx/examples/space_group_matr... ( $CCTBX_DIST/cctbx/examples/space_group_matrices.py ) to get an idea where things are. You can also try other examples in that directory and of course libtbx.help cctbx.sgtbx.space_group gives you some clue of what might be where. HTH Peter