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6 Jul
2010
6 Jul
'10
12:49 p.m.
From the phenix manual:
Refinement with minimization (selected part of model): % phenix.refine data.hkl model.pdb strategy=individual_sites sites.individual="chain A"
This will refine the coordinates of atoms in chain A while keeping fixed the atomic coordinates in chain B.
We have a pretty general atom selection syntax which lets you select for example sites.individual="resid 10:20" in case the moving and the fixed part have the same chain id. See the "Atom selection examples" in the phenix.refine docs. Ralf