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On Tuesday, August 23, 2011 11:15:46 am Engin Özkan wrote: > I distinctly remember reading a paper where B factors were predicted > based on the location of the atoms (core vs exposed, main chain vs side > chain) and the predicted values were not that far off. I wonder if B > factors could actually be restrained at low resolution towards values > reasonable/expected/similar to model values, just as how we put in model > restraints for coordinate refinement these days I believe that's called "TLS refinement" :-) :-) :-) Ethan > , since many of us > working at low resolution have at some point or another experienced > catastrophe with B factor refinement. I wonder if this has been tested... > > Engin > > On 8/23/11 10:30 AM, Francis E Reyes wrote: > > Hi all > > > > What's a way to determining a B-factor to set for all residues of a model at low resolution (4A)? How valid is the wilson B at this resolution? (better than nothing?) > > > > I'm in the process of fitting whole domains into some rasty experimental density maps and was thinking of doing a rigid body or very restrained ( secondary structure | reference structure | etc ) refinement of the coordinates for helping the fit. > > > > Thanks! > > > > F > > > > > > > > --------------------------------------------- > > Francis E. Reyes M.Sc. > > 215 UCB > > University of Colorado at Boulder > > > -- Ethan A Merritt Biomolecular Structure Center, K-428 Health Sciences Bldg University of Washington, Seattle 98195-7742