[phenixbb] residue selection for rsrl?

Kevin Jude kjude at stanford.edu
Tue Nov 25 12:59:54 PST 2014


I am refining a structure at 2.9 Å resolution and have two side chains that
keep moving out of density during reciprocal space refinement; both side
chains should fit the resulting Fo-Fc density in favored rotamers.  Turning
on real-space refinement fixes this problem but leads to higher Rfree and
poorer geometry overall.  Can I select a subset of residues for real space
refinement while still performing reciprocal space refinement on the whole
asymmetric unit?

Thanks for any help
Kevin
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