Re: [PyMOL] How to measure the angle between two aromatic rings?

[Thomas H. <sp...@us...>]

Hi Ramiro,

> * How do I adjust the code with my selected rings? Do I need to include
> both residues in the same selection in pymol, then rename the selection,
> and then include the chosen selection name in the code where you write
> "selection"?

you need two selections of two residues, in my example the part 'A/37/CG
+CD1+CE1+CZ+CE2+CD2' is the selection on chain A, residue 37 and ring
atoms.

> * How do I run the code after I adjust it with my "selection"? I have
> never run a python program from within pymol. What should I do?

I put the code (including Tsjerk's additions!) to a file, see attached.
You have to run it with pymol (File > Run...) and then call the
ring_angle command.

Example to get angle between aromatic residues 37 and 41 in chain A:
ring_angle chain A and resi 37, chain A and resi 41

Cheers,
  Thomas