Phenix: Difference between revisions

132 bytes added ,  20 March 2012
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==== NCS ====
==== NCS ====


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 main.ncs=True
 
* Manual specification of NCS groups:
Manual specification of NCS groups:
  phenix.refine data.hkl model.pdb ncs_groups.params main.ncs=True
  phenix.refine data.hkl model.pdb ncs_groups.params main.ncs=True
where ncs_groups.params contains e.g.:
where ncs_groups.params contains e.g.:
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   selection = chain F
   selection = chain F
  }
  }
* switching to torsion-angle NCS:
ncs.type=torsion
* switch off the restraints on NCS-related B-factors:
ncs.b_factor_weight=0


==== Secondary structure restraints ====
==== Secondary structure restraints ====
1,330

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