[phenixbb] Select atoms by B-factors?

Oliver Clarke clarke at wehi.EDU.AU
Tue Feb 24 17:38:30 PST 2009


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.

Oliver Clarke

More information about the phenixbb mailing list