It is good to have this elasticity configurable, but I agree with dr
Roberts, that preferable default value should be to give usage as
previous. Draging a single atom is always possible with pressing Ctrl.
However, what would be sometimes useful, is possibility to drag several
atom - not one, but not whole residue. Good for fitting long sidechains
like Arg or Lys. Maybe possible with temporarily changed this new value...
Jan
Dne 24. 3. 2015 v 23:01 Roberts, Sue A - (suer) napsal(a):
I'm wondering why this was changed. Does the optimum elasticity change with
resolution, map quality, or another experimental limitation? Or does it more of
a user preference?
Over the years, I've gotten used to being able to drag a loop that is out of
density into density and watch as it magically sorts itself into the (often)
proper conformation in less time that I could build it myself. I miss this
behavior and would like COOT to, again, do such things for me. (OK, that's a
lazy approach, but there's always undo, so it's often worth a try).
I've tried various settings of refinement_drag_elasticity and I need to lower
it to 0.5 or so before any semblance of earlier behavior appears.
Sue
On Mar 24, 2015, at 1:53 PM, Kevin Jude wrote:
We've noticed a new behavior in real space refinement in coot 0.8.1 whereby
dragged atoms are more tightly restrained to their initial positions than in
earlier versions. This seems to be described in the release notes by:
o BUG-FIX: The amount that the other atoms ove with moving the
picked atom has been reduced (but is configurable)
The old behavior was often useful for moving out of a local minimum. How can I
configure this?
Best wishes
Kevin Jude
Dr. Sue A. Roberts
Dept. of Chemistry and Biochemistry
University of Arizona
1041 E. Lowell St., Tucson, AZ 85721
Phone: 520 621 8171 or 520 621 4168
[email protected]
http://www.cbc.arizona.edu/facilities/x-ray_diffraction
--
Jan Stransky, PhD student
Institute of Biotechnology, AS CR
Laboratory of structure and function of biomolecules
Nad Safinou II 366
Vestec
Czech Republic
Tel.: +420226201570
