[phenixbb] Geometry Restraints - Anisotropic truncation
nechols at lbl.gov
Thu May 3 10:23:30 PDT 2012
On Thu, May 3, 2012 at 10:05 AM, Dale Tronrud <det102 at uoxray.uoregon.edu> wrote:
> An important point is that the Fc's must never be used to judge the
> quality of the Fo's in a production environment.
I'm not sure that's completely fair - they can certainly be used to
identify Fobs values that are wildly at odds with expectations. This
is what Pavel does with outlier rejection in phenix.refine (I forget
the exact reference for this protocol but I think it's Read 1999 or
something like that). The difference, I think, is one of degree, and
also that (at least in the current version) the outliers are
recalculated at each cycle of refinement and never permanently
excluded, unlike anisotropic truncation.
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