> I'm working on a low resolution structure with less than ideal
> maps. In an attempt to restrain the Refine Zone command to take
> into account the geometry more I've tried playing with the
> 'set_matrix' keyword through the Python Scripting window. I've
> varied the value from 10-100, but the results of real space
> refinement are always the same (ie more often than not the residues
> are distorted beyond recognition in an attempt to fit them into the
> density).
I doubt the refinements are the same. What kind of Chi2 do you get for
the different settings?
> Combining Regularise Zone with Refine Zone doesn't help.
> It may improve the geometry, but it often undoes any previous
> fitting to the maps.
> Any suggestions?
Have you tried torsion angle restraints? And secondary structure
restraints, Ramachandran restraints? Are planar peptide restraints
switched on?
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) 08-52487673
fax: (+46) 08-327626
email: [log in to unmask]
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