[PyMOL] Super and Align missing residues

2018-06-27 Thread Nathan Clement
Hi, I'm trying to compute the interface RMSD (iRMSD) between two protein pairs that are highly similar (might have a few missing residues, but are otherwise identical). Right now, my code does something like the following for protein pairs "gold" and "test" (receptor has chains A+B and ligand has

Re: [PyMOL] Preventing Output of pair_fit

2018-07-25 Thread Nathan Clement
Awesome. This is exactly what I was looking for. Nathan On Mon, Jul 23, 2018 at 11:16 AM Jarrett Johnson < jarrett.john...@schrodinger.com> wrote: > Hello Nathan, > > While we prepare to rollout the "quiet" argument for pair_fit, in the > meantime try: > > cmd.feedback("disable", "executive", "r

Re: [PyMOL] Super and Align missing residues

2018-12-19 Thread Nathan Clement
For anyone who has found this thread, I've taken some time and put together an alignment + RMSD script for Pymol (using BioPython). You can find it on GitHub, here . It's a bit overkill, and only handles single chain proteins, but it's