[phenixbb] secondary restraint refinement
CPMAS Chen
cpmasmit at gmail.com
Wed Dec 17 10:57:16 PST 2014
Dear Phenix Users,
How do I force some residues in a non-helix conformation?
I have a 3A data, and have the protein model refined. But in some region,
3~4 residues are in the helix conformation, and the density fit is good.
Anyway, let me say this, I want to force these residues in a non-helix
conformation.
I tweaked the model a little bit and load them in VMD, and make sure they
are not helix anymore.
I turn on secondary-structure-restraint in phenix, take out the helix
remarks for these residues in the def file. but once the refinement is
done, they are still in a helix region (phenix automatically secondary
structure analysis, or viewed in VMD).
Is there a feasible way to keep them away from helix conformation?
Thanks!
Charles
--
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Charles Chen
Research Associate
University of Pittsburgh School of Medicine
Department of Anesthesiology
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