[phenixbb] zero B-factors

Nathaniel Echols nechols at lbl.gov
Mon Nov 25 09:35:36 PST 2013


On Mon, Nov 25, 2013 at 8:21 AM, Engin Özkan <eozkan at stanford.edu> wrote:

> I was looking at this histogram when I wrote that email :) but that
> histogram is not clickable and does not report residue names (unlike the
> list just below it). I always look at the histogram (and its usually
> Poisson-like shape is intriguing). It was just a suggestion to add the
> other end of the distribution to the list of outlier residues reported by
> Phenix.


Good point - I will add this.  The next version of the validation in Phenix
(phenix.molprobity, not yet available in the GUI) will already flag waters
with suspiciously low B-factors, although the threshold for suspicion is
arbitrarily defined right now.

-Nat
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