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
