[phenixbb] Fix rotamers
PAfonine at lbl.gov
Fri Apr 16 16:21:31 PDT 2010
sorry for the lack of documentation on this matter.
I posted some information about real-space refinement on phenixbb
several times within last month. Here it is:
but I agree this doesn't replace the proper documentation.
Let me know if you have any questions.
On 4/16/10 12:52 PM, Jason C Porta wrote:
> Hi everyone,
> I'm currently looking for some info on the "fix rotamer" option in
> phenix.refine. I searched the online docs and board archives, but came
> up empty.
> Could someone please explain to me how the software carries out the
> rotamer refinement? From the log file it looks like a map is
> calculated for each rotamer followed by a real-space refinement? Am I
> thinking on the right track?
> Thanks in advance!
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