Phenix: Difference between revisions

621 bytes added ,  20 March 2009
m
→‎TLS: add example for rigid body and NCS definition
m (→‎TLS: example for .def file)
m (→‎TLS: add example for rigid body and NCS definition)
Line 77: Line 77:
   tls = chain 'B'
   tls = chain 'B'
   }
   }
}
== Rigid body ==
example for file rigid_body.def defining 2 rigid bodies:
refinement.refine.sites {
  rigid_body = chain 'A' or chain 'B'
  rigid_body = chain 'L' or chain 'M'
}
== NCS ==
example for ncs.def :
refinement.ncs.restraint_group {
  reference = chain 'A' and (resseq 1:44 or resseq 47 or resseq 49:88 ) and (not element H)
  selection = chain 'B' and (resseq 1:44 or resseq 47 or resseq 49:88 ) and (not element H)
  selection = chain 'C' and (resseq 1:44 or resseq 47 or resseq 49:88 ) and (not element H)
  selection = chain 'D' and (resseq 1:44 or resseq 47 or resseq 49:88 ) and (not element H)
  }
  }


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