[phenixbb] nucleic acid secondary restraints breaking in 1.7.1-743
nechols at lbl.gov
Mon Aug 15 08:51:02 PDT 2011
On Mon, Aug 15, 2011 at 8:23 AM, Francis E Reyes
<Francis.Reyes at colorado.edu> wrote:
> How unfortunate! Statistical model for missing atoms was dropping my R/Rfree
> about 10% (using 1.7.1-743).
Yeah, it tends to do that. . . although there is some debate about
which R-factors should really be reported, given the difficulty of
reproducing the lower values. The real benefit to this feature is
improved map quality.
> Is there a nightly that didn't drop use_statistical_model_for_missing_atoms
> but still has working secondary_structure nucleic acid restraints?
I'm not sure when this broke - in theory there were a couple of weeks
overlap in June, but there may have been other problems with the
missing atoms feature. Pavel would know for sure.
> I guess the other option is to generate the restraints myself ....
This may be a good intermediate solution:
I had meant to add an option to output the base pair restraints using
the existing custom bond syntax, but haven't had time to do that yet.
More information about the phenixbb