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Phenix: Difference between revisions
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→TLS
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* phenix.find_tls_groups now can find TLS groups automatically, and generate a tls_selections.def file. | * phenix.find_tls_groups now can find TLS groups automatically, and generate a tls_selections.def file. | ||
At lower resolution than 1.5A if you run two consecutive refinements, first with TLS | |||
and the next one without TLS, then in the second run anisotropic ADPs | |||
will be converted to isotropic automatically. This is done by | |||
phenix.refine to prevent accidental refinement of individual anisotropic | |||
ADPs in such cases. The keyword and threshold are: | |||
switch_to_isotropic_high_res_limit=1.5. At better resolution, all atoms which have ANISOU records will be refined anisotropically in the second run, which may not be what the user wants. | |||
==== Rigid body ==== | ==== Rigid body ==== | ||