[phenixbb] Fix rotamers

Pavel Afonine PAfonine at lbl.gov
Fri Apr 16 16:21:31 PDT 2010

Hi Jason,

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!
> Jason
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