also is there any way of refining a zone around a metal ion without the sidechains
vanishing into the metal density? I know the refine-by-sphere (R) option
works better, but then I have no control over what I'm refining
Sphere refine is simply a thin layer around the refine-residues function
That doesn't work in my OSX coot (maybe an oldish version 3072), no button
appears
The simpler command doe:s
coot_toolbar_button(Sphere Refine, sphere_refine(5.0), reset-view.svg)
Phil
On 19 Nov 2010, at 08:26, Bernhard Lohkamp wrote:
also is there any way of refining a zone around a
On Tue, 2010-11-16 at 13:22 +, Paul Emsley wrote:
also is there any way of refining a zone around a metal ion without
the sidechains vanishing into the metal density? I know the
refine-by-sphere (R) option works better, but then I have no control
over what I'm refining
Had the same
For very fine control over which residues get refined, I've added the
following to my .coot:
(add-key-binding Add click to ref list a
(lambda ()
(let ((imol-map (imol-refinement-map)))
(if (valid-map-molecule? imol-map)
(user-defined-click 1 add-to-reflist)
On Tue, 2010-11-16 at 13:34 +, Paul Emsley wrote:
(set-default-temperature-factor-for-new-atoms 50)
But perhaps that is what you mean by resetting the defaults.
Precisely. I think it makes perfect sense if coot assigns B-factors to
new residues by extrapolating from existing ones, but
