[phenixbb] low resolution secondary structure refinement
nechols at lbl.gov
Wed Apr 7 16:54:50 PDT 2010
On Wed, Apr 7, 2010 at 4:48 PM, Pavel Afonine <PAfonine at lbl.gov> wrote:
> rigid body refinement does not employ any restraints. You can use secondary
> structure restraints in refinement of individual coordinates.
> Actually, you can use secondary structure restraints in constrained rigid
> body refinement (SA in torsion angle space).
I'm not sure to what extent this is true. Ralf, what would be the effect of
those extra H-bonds when running torsion angle dynamics? Will they be used
in the rigidity analysis, or will they just behave as they would in
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb