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Phenix: Difference between revisions
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remove duplicate NCS entry; add entry about bond modifications etc
m (→TLS: add example for rigid body and NCS definition) |
(remove duplicate NCS entry; add entry about bond modifications etc) |
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phenix.refine model.pdb data.mtz all_ligands.cif ... | phenix.refine model.pdb data.mtz all_ligands.cif ... | ||
== Occupancy | == Restraints in real space == | ||
=== Occupancy === | |||
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. | ||
== NCS == | === NCS === | ||
Automatic detection of NCS groups: | Automatic detection of NCS groups: | ||
| Line 61: | Line 62: | ||
} | } | ||
== TLS == | === TLS === | ||
* run your model through TLSMD server to identify TLS domains (it will produce PHENIX friendly TLS groups selections); | * run your model through TLSMD server to identify TLS domains (it will produce PHENIX friendly TLS groups selections); | ||
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} | } | ||
== | == switching off specific interactions == | ||
To switch off the interaction between a specific atom and its environment, e.g. to obtain unbiased (by restraints) estimates of distances, see http://www.phenix-online.org/documentation/refinement.htm#anch80 | |||
== See also == | == See also == | ||