[Chimera-users] Visualizing specific atoms in autodock-vina output

Francesco Pietra chiendarret at gmail.com
Fri May 12 10:26:48 PDT 2017


I am trying to investigate the protein surrounding a docked (autodock-vina,
alpha chimera 1.1 build 40505 linux 64) ligand. I am interested in the
environment of specific atoms of the ligand.

With command

sel #1.1 at N z<5

I can investigate the protein at 5A from BOTH nitrogen atoms of model 1.1.

How to select one of the two existing N atoms in the ligand? Same questions
for other ligand atoms (there are many O-atoms)

Is that possible without elaborating the vina output?

thanks

francesco pietra
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