Phenix: Difference between revisions

4 bytes removed ,  1 July 2020
→‎NCS: try to correct
(→‎Special positions: Bond across symmetry axis)
(→‎NCS: try to correct)
Line 327: Line 327:


* Automatic detection of NCS groups:
* Automatic detection of NCS groups:
  phenix.refine data.hkl model.pdb main.ncs=True
  phenix.refine data.hkl model.pdb ncs=True ncs_search.enabled=True
* Manual specification of NCS groups:
* Manual specification of NCS groups:
  phenix.refine data.hkl model.pdb ncs_groups.params ncs_search.enabled=True
  phenix.refine data.hkl model.pdb ncs_groups.params  
where ncs_groups.params contains e.g.:
where ncs_groups.params contains e.g.:
  refinement.ncs.restraint_group {
  refinement.ncs.restraint_group {
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