[phenixbb] how to apply phi/psi helical restraints
daqi.tu at gmail.com
Fri Jul 29 21:17:41 PDT 2011
I downloaded the latest build (dev-833), but could not see a
Ramachandran restraints option under Phenix.refine GUI /all
parameters/atom selections. Am I missing something?
On 7/29/2011 1:53 PM, Nathaniel Echols wrote:
> 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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