[phenixbb] how to apply phi/psi helical restraints
nechols at lbl.gov
Fri Jul 29 10:53:13 PDT 2011
On Fri, Jul 29, 2011 at 10:45 AM, Pavel Afonine <pafonine at lbl.gov> wrote:
> I can't see why doing both: defining custom bonds between N-O pairs that
> stabilize the helical region and using Ramachandran plot restraints would
> not work.
By default Ramachandran restraints are applied to all residues - this
is very risky, especially when the goal is to keep secondary structure
from unraveling. It would be prudent to define the parameter
rama_selection (in the GUI, "Atom selection for Ramachandran
restraints") to include only the helical regions.
What is the resolution of this structure?
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