Re: [PyMOL] Help with selecting interface residues between two structures

2023-06-29 Thread Zhou, Yingyao via PyMOL-users
Hi, Jarrett This is more than helpful! I just need to fix my own mistake in the selection cmd.select(base_interface, "byres((not (/base//H+L) & base) within 10 of /base//H+L)") Maybe one more question: Selection: “not (/base//H+L)” returns all residues in pred, as well as the P chain of base.

Re: [PyMOL] Help with selecting interface residues between two structures

2023-06-29 Thread Jarrett Johnson
Hi, There might be a cleaner way to do this, but I propose creating a mapping of your chains from base to pred and use the `iterate` command to get the relevant identifiers and map them back to the prediction. Here is a full script that pulls from the PDB that attempts this idea. from pymol impor