> 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: [email protected]
