Phenix: Difference between revisions

9 bytes added ,  8 March 2009
m
cosmetic
m (add phenix.reduce, occupancy, mailing list)
m (cosmetic)
Line 38: Line 38:
  phenix.refine model.pdb data.mtz all_ligands.cif ...
  phenix.refine model.pdb data.mtz all_ligands.cif ...


== Occupancy refinement
== Occupancy refinement ==


Adding "occupancy" to the "strategy" options will refine the occupancies of those parts of the model that have alternate conformations.
Adding "occupancy" to the "strategy" options will refine the occupancies of those parts of the model that have alternate conformations.
Line 50: Line 50:
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:
where ncs_groups.params contains e.g.:
  refinement.ncs.restraint_group {
  refinement.ncs.restraint_group {
   reference = chain A  
   reference = chain A  
Line 74: Line 74:


[http://www.phenix-online.org/ Phenix home page]
[http://www.phenix-online.org/ Phenix home page]
[http://www.phenix-online.org/pipermail/phenixbb/ Phenix mailing list]
[http://www.phenix-online.org/pipermail/phenixbb/ Phenix mailing list]
1,330

edits