2 Apr
2010
2 Apr
'10
3:02 p.m.
Hi Gregers,
in the standard phenix.refine scripts there are options for adding user defined restraints on bonds and angles, but not on dihedrals.
you can define bonds and angles for any selected atoms as described in "Definition of custom bonds and angles" section of phenix.refine documentation: http://www.phenix-online.org/documentation/refinement.htm
Is this currently possible in phenix.refine? One application would be to restrain the phi-psi angles of a low resolution structure to phi-psi angles from a high-res structure of the same protein,
The work on this option is in progress (Jeff - is it available ?). phenix.refine has secondary structure restraints option that may be useful if you are refining at low resolution. Pavel.