[phenixbb] XYZ refinement vs individual sites refinement
yuri.pompeu at ufl.edu
Sun Mar 13 10:35:58 PDT 2011
I am new to phenix and I am trying to probe two residues that are
putative H-bond partners, after refinement they seem to be put in
orientations that would make it impossible for them to be interacting
with a ligand. My SA composite omit map may suggest that one of the Asn
could be in a different position.
My question: If I manually change its conformation is it wise to keep
its position fixed during refinement to see what the new maps would
look like? If so where would I do that under the real space or
individual sites tab on GUI phenix? I am not sure what these 2 tasks
Any guidance would be appreciated.
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