[phenixbb] How to fix c-beta deviation?
immormino at gmail.com
Wed Apr 6 07:20:24 PDT 2011
While phenix.refine is an incredible powerful tool for structure
refinement, as Nat said earlier some re-building may be required.
Without re-building addition of ramachandran restraints may only mask
problems rather than fix them. Fortunately, Cbeta deviations are
quite sensitive and as far as I know are truly independent structure
validation measures see:
quoting from the abstract:
Cbeta deviation is sensitive to incompatibilities between sidechain
and backbone caused by misfit conformations or inappropriate
On Wed, Apr 6, 2011 at 9:50 AM, Jason <phenix.upitt at gmail.com> wrote:
> I have tried to regularize my protein structure in coot and use ramachandran
> restrain to improve statistics (and then release them). However, I can not
> make the c-beta deviation be zero. Is there some special way to improve
> c-beta deviation? Thanks.
> Structural Biology Department
> University of Pittsburgh
> phenixbb mailing list
> phenixbb at phenix-online.org
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