On 24/03/15 22:01, Roberts, Sue A - (suer) wrote:
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?
Because cis-peptides. My worry was that in the previous regime, it was
too easy to introduce cis-peptides when fitting to low resolution maps.
I believe the current default setting is much less likely to do that.
My feeling is that if you are sufficiently advanced to know that you
want a different drag elasticity, then you are quite likely to know what
a cis-peptide is and not ignore the warning that coot gives you when you
create one.
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.
It used to be 0.167, I think.
I think that the way the other atoms move when you pull the dragged atom
can be improved.
Paul.
