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Phenix: Difference between revisions
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→Atom selection
| Line 191: | Line 191: | ||
e.g. | e.g. | ||
phenix.refine model.pdb data.mtz refine.sites.individual="not (chain A and resseq 123:156)" | phenix.refine model.pdb data.mtz refine.sites.individual="not (chain A and resseq 123:156)" | ||
or | |||
phenix.refine model.pdb data.mtz strategy=individual_adp adp.individual.iso="chain A and resseq 10:20" | |||
The latter will refine only the B-factors of A10:A20 . It should be noted that the overall B-factor can change by ± a constant. This is because the trace of overall anisotropic scale matrix is subtracted from it and added to all atoms and to Bsol. | |||
=== Switching off specific interactions === | === Switching off specific interactions === | ||