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 which takes a
list of residue specs - that gives you enough control, I hope. (You can also trivially
change the "radius" in sphere refine.)
Paul.
How do you change the radius?
The pythonic function sphere_refine takes an optional argument which is
the radius (default is 3.5A). If you have the sphere refine function as
a toolbutton (which I believe you have now) you can change the function
in your toolbuttons file ($HOME/.coot-preferences/coot_toolbuttons.py)
to say e.g. for radius 5A:
coot_toolbar_button("Sphere Refine", "sphere_refine(5.0)",
icon_name="reset-view.svg", tooltip="RSR around active residue")
Does this help?
B
--
***************************************************
Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487651
fax: (+46) 08-327626
email: [email protected]
