Dear x-plor users,
I am interested in the B factor refinement strategy of biomolecular
structures. In x-plor there are four different methods to refine b factor.
They are
Overall B-factor refinement
Overall anisotropic B-factor refinement
Grouped B-factor refinement
Individual B-factor refinement
I want to know how to correctly use them in structure refinements, especially the different applying cases of Grouped and Individual.
Could you please help me on this point? I am refining an enzyme-inhibitor
complex structure. The R value has gone down to 23.7%. Can I add water moleculesand proceed to refine B-factors now?
Thanks!
Xiaozhou Liu
Department of Physiology and Biophysics
College of Life Science
Peking University
Beijing, 100871
P.R.China
