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.
Cheers,
Eckhard
--
Prof. Dr. Eckhard Hofmann