29 Jul
2011
29 Jul
'11
5:53 p.m.
On Fri, Jul 29, 2011 at 10:45 AM, Pavel Afonine
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? -Nat