Kevin:
From Dr. Emsley:
Add this to your ~/.coot.py file:
set_refinement_drag_elasticity(0.8)
Philip
On Tue, Mar 24, 2015 at 4:53 PM, Kevin Jude kj...@stanford.edu wrote:
We've noticed a new behavior in real space refinement in coot 0.8.1
whereby dragged atoms are more tightly restrained
Hi Everyone,
I also have observed the unusual behavior with waters not staying in the
density after using the "r" key binding. In many cases, there aren't any
egregious clashes that could be forcing the water out of the density. I
tried changing the Lennard-Jones setting in the refine/regularize
nge about the new refinement on CCP4BB some
> time ago. Briefly, people reported problems
> > that
> > I wasn't seeing.
> >
> > So I'd like to see what you see. Either make a screencast of your
> session or conjure up a coordinates file and a list
> > of coot operations
make it easier to switch the refinement weights based on the
quality of the density map. If there is an easier way to do things that
I've missed please let me know!
Regards,
Philip
On Tue, Jan 25, 2022 at 7:24 PM Paul Emsley
wrote:
> On 25/01/2022 22:46, Philip Kiser wrote:
> > Dear C
Thank you Paul for the clarification and for the key binding script!
Best,
Philip
On Wed, Jan 26, 2022 at 10:20 AM Paul Emsley
wrote:
>
> On 26/01/2022 13:20, Philip Kiser wrote:
>
> Hi Paul,
> Thank you for the guidance. Usually, the auto weight feature works fine
> fo
Dear Coot Users,
Has anyone developed a key binding that will automatically set the weight
matrix refinement weight to the value that is obtained using the "Estimate"
option? If so I would really appreciate you sharing it.
Best,
Ph
