Hi Joel,
from
http://www.phenix-online.org/version_docs/dev-1439/CHANGES :
- Local RSR: residue-by-residue, replaces old fix_rotamers option
- fits both main chain and sidechain
- only applies to residues with rotamer outlier, poor CC, or
clashes
- new residue fit serves as torsion restrains for subsequent
macro-cycle
- currently not performed when explicit hydrogens present
To turn this off simply exclude real-space refinement from
refinement strategy.
Note, RSR above means Real-Space-Refinement, and not
Reciprocal-Space-Refinement.
Pavel
On 7/22/13 9:33 AM, Joseph Noel wrote:
Dear Pavel,
To clarify, in the latest nightly build, 1435, do you have to
click on real space refinement to carry out side chain rotamer
fitting? If you just refine xyz I assume side chain rotamer
fitting is not enabled, correct?
Joe Noel