pafonine at lbl.gov
Fri Mar 9 20:09:30 PST 2012
> This is a great point. There should probably be NCS output in the PDB
yes, it's definitely good to have, but can we really say more than
REMARK 3 NCS RESTRAINTS: TYPE TORSION
> > 2. What is difference between NCS type, global and torsion angle,
> and when they are preferred over the other?
> Global NCS uses Cartesian-based restraints, which force the matching
> chains to be identical.
Just a minor correction: what you described are NCS *constraints*, and
we don't have them in phenix.refine yet. NCS restraints force the
coordinates and B-factors (residual B-factors if TLS is used) of NCS
related copies to be *similar* (but not necessarily identical). The
degree of similarity is determined by a parameter, and this parameter
cannot be set such that NCS restraints become NCS constraints.
All the best,
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