[phenixbb] Need help with atom selection for anisotropic refinement

Dr. Mark Mayer mayerm at mail.nih.gov
Wed Oct 16 13:42:07 PDT 2013


Hi,

I'm trying to do a mixed individual isotropic anisotropic refinement 
b factor refinement and can't get my atom selections to be accepted 
by phenix.refine.

For the atoms I want to do isotropic refinement I used

optional (element H or element D or resname HOH or chain E or chain F 
or chain A or chain B)

for the anisotropic selection I used

chain A and chain B and not (element H or element D or resname HOH or 
chain E or chain F or chain A resseq 5:11 or chain A resseq 66:72 or 
chain A resseq 117:138 or chain A resseq 152:184 or chain A resseq 
196:210 or chain A resseq 249:251 or chain B resseq 3:6 or chain B 
resseq 66:72 or chain B resseq 166:210 or chain B resseq 249:251)

I've tried various combuinations, but so far all have given the error 
message: Selection string results in empty selection.

Thanks for your help

Mark
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