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Phenix: Difference between revisions
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→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) |
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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) | |||
} | } | ||