<div dir="ltr">Hi Eckhard,<div><br></div><div>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.</div><div><br></div><div>Best regards,</div><div>Oleg Sobolev.</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Jan 25, 2016 at 3:51 AM, Eckhard Hofmann <span dir="ltr"><<a href="mailto:eckhard.hofmann@bph.ruhr-uni-bochum.de" target="_blank">eckhard.hofmann@bph.ruhr-uni-bochum.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi all,<br>
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).<br>
I did a quick check with<br>
<br>
Release 2155 (1.10.1)<br>
Release 1692 (1.9)<br>
Release 2294 (dev)<br>
<br>
on the commandline with just the pdb and mtz and with and without<br>
main.ncs=true (old version)<br>
ncs_search.enabled=True (new versions)<br>
<br>
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.<br>
<br>
Maybe I'am triggering a bug here? I know the ncs code is under reconstruction, but no change (especially in log output) is troublesome.<br>
<br>
Cheers,<br>
Eckhard<span class="HOEnZb"><font color="#888888"><br>
<br>
<br>
-- <br>
Prof. Dr. Eckhard Hofmann <<a href="mailto:eckhard.hofmann@bph.ruhr-uni-bochum.de" target="_blank">eckhard.hofmann@bph.ruhr-uni-bochum.de</a>><br>
Ruhr-Uni Bochum<br>
AG Proteinkristallographie, LS Biophysik, ND04/318<br>
44780 Bochum<br>
Tel: <a href="tel:%2B49-%280%29234%2F32-24463" value="+492343224463" target="_blank">+49-(0)234/32-24463</a>, Sekr. -24461, FAX: -14762<br>
ORCID: 0000-0003-4874-372X<br>
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