[phenixbb] Select atoms by B-factors?
Oliver Clarke
clarke at wehi.EDU.AU
Tue Feb 24 17:38:30 PST 2009
Hi,
I'm currently refining a structure at 1.6A. Substantial portions of
the structure are very well ordered, with B-factors < 15. I'd like to
refine these well ordered regions using anisotropic thermal
parameters, while keeping everything else isotropic. However, in doing
so, the atom selections tend to become quite convoluted. Is there any
way to select all atoms which initially have an isotropic B less than
a certain cuttoff value? That way one could (after isotropic B-factor
refinement) select the most ordered regions of the structure for
anisotropic refinement.
Cheers,
Oliver Clarke
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