Hi there,
I have no experience in scripting what so ever thus this simple task drives me
nuts.
I was using ZDOCK to dock my protein on the complex. It spits me out 2000 pdb
files that each contain a ligand and receptor. Receptor position is fixed,
ligand is not. What I want to show is just centre of mass of the ligand and a
receptor. I understand that I should be doing something like this:
from pymol import cmd
from glob import glob
for file in glob("*.pdb"):
print file
cmd.load(file,'prot')
for a in cmd.index("CYS/SG"):
identify COM
print its location as a dot or sphere
delete loaded file
go to another one until list is exhousted
cmd.delete("all”)
Thank you a lot and sorry for bothering you with such a silly question!
[email protected]
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