[phenixbb] on phenix.real_space_refine
pafonine at lbl.gov
Tue Apr 28 21:21:47 PDT 2015
"local_grid_search" should do it if there is reasonable density. I'm
still optimizing it for cases of no density.
On 4/28/15 8:51 PM, Smith Liu wrote:
> Dear All,
> If with phenix.real_space_refine, I got a model (with PDB), in which
> there is a fragment containing several residues (not in continuation
> in the fragment), with side chains not fitting to the corresponding
> side chain density (or out of the density, but close to the density),
> which function(s) of phenix.real_space_refine (for
> example,minimization_global or local_grid_search?) can improve the
> fitting of the sidechains to the density?
> I am looking forward to getting your reply.
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