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Phenix: Difference between revisions
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→Atom selection: add example
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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. | 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. | ||
Another example: | |||
sel = "chain A and resseq 123 and resname LIG and name C1 and altloc A" | |||
where "resseq 123" and "resname LIG" are probably redundant. | |||
=== Switching off specific interactions === | === Switching off specific interactions === | ||