HI Thomas,
I have a protein with two chain A and B. both have only one ligand in them.
As I explained before, I want to identify the size of the pocket , and also
I replace the ligand with another ligand that I have ,
do you know how I do it?
Many thanks
Mohammad
On Sun, Jul 16, 2017 at 3:58 PM
Hi Mohammad,
If there is already a ligand in the pocket and you just want to know its center
x,y,z, you can simply type:
centerofmass organic
Or if there are multiple organic molecules and you are interested in one with
the unique residue name "LIG":
centerofmass resn LIG
I wound't call that
Hello,
I am wondering whether it is possible to find the pocket of a protein in
Pymol?
lets say I have a protein and a ligand inside the pocket. I want to
estimate the x, y and z
Best Regards,
Mohammad
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