[phenixbb] Cannot activate NCS in 1.10.1
osobolev at lbl.gov
Mon Jan 25 10:06:05 PST 2016
My guess would be that newer versions fail to find NCS in your structure.
There should be some indication of this fact in the log files. I'm happy to
check what is going on and introduce any fixes if needed. Can you please
send me (off-list) model and data files to reproduce the behavior you
described? The files will be kept in confidence.
On Mon, Jan 25, 2016 at 3:51 AM, Eckhard Hofmann <
eckhard.hofmann at bph.ruhr-uni-bochum.de> wrote:
> Hi all,
> during finalization of a structure I wanted to quickly check the effect of
> cartesion vs. torsion ncs. Surprisingly changing settings in the GUI did
> not effect the stats at all (numerically identical runs).
> I did a quick check with
> Release 2155 (1.10.1)
> Release 1692 (1.9)
> Release 2294 (dev)
> on the commandline with just the pdb and mtz and with and without
> main.ncs=true (old version)
> ncs_search.enabled=True (new versions)
> Again nothing changed in the stats in the new versions, whereas the old
> version correctly stated the identified torsion NCS-pairs in the log and
> gave diverging stats.
> Maybe I'am triggering a bug here? I know the ncs code is under
> reconstruction, but no change (especially in log output) is troublesome.
> Prof. Dr. Eckhard Hofmann <eckhard.hofmann at bph.ruhr-uni-bochum.de>
> Ruhr-Uni Bochum
> AG Proteinkristallographie, LS Biophysik, ND04/318
> 44780 Bochum
> Tel: +49-(0)234/32-24463, Sekr. -24461, FAX: -14762
> ORCID: 0000-0003-4874-372X
> phenixbb mailing list
> phenixbb at phenix-online.org
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