25 Aug
2008
25 Aug
'08
12:27 p.m.
Hello again, When selecting groups within a pdb file for anisotropic refinement, i.e. portions of the structure will be anisotropic and the rest will be isotropic. Would it be better to a) select any atoms below a user defined Bfactor limit b) select only residues with all atoms below a user defined Bfactor limit c) select any residue with a residue average below a user defined Bfactor limit My concerns with these options are (a) may give only some atoms within a particular residue, is that ok? (b) could limit the anisotropic selction beacuse a residue with all but one atom under the limit would be excluded. Does (c) really solve both these problems? Or are there other options I'm missing? Thanks, Mark