23 Jul
2013
23 Jul
'13
5:55 p.m.
We never had rotamer restraints (although I guess the new RSR method uses them internally), just the fix_rotamers option, but that is now merged with the RSR code.
Rotamer restraints are now used routinely if real-space refinement is enabled (there are lots of "if" before they get enabled). Similar but not exactly the same for Cbeta restraints. Pavel