[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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