[phenixbb] questions on refinement
pafonine at lbl.gov
Fri Feb 18 09:37:28 PST 2011
the answer to your question:
This should be available in *development* version of PHENIX, dev-673:
which is not officially released.
You can do it in Coot too.
Let me know if you have any questions.
On 2/18/11 9:12 AM, Hena Dutta wrote:
> I have a question on refinement of macromolecules. I like to apply 180
> degree rotation to the side chain of a particular residue about a
> particular bond and see, which one (before or after applying rotation)
> agrees well with the observed x-ray data (based on R factors and
> electron density map). Can someone advise, what could be the best way
> to do this? I like to do the same operation on multiple structures
> which are already refined.
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