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

2023-06-29 Thread Zhou, Yingyao via PyMOL-users
chain of base. I understand this. However, why “not /base//H+L” returns an empty selection? Thanks! From: Jarrett Johnson Sent: Thursday, June 29, 2023 6:31 AM To: Zhou, Yingyao Cc: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] Help with selecting interface residues between two str

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

[PyMOL] Help with selecting interface residues between two structures

2023-06-28 Thread Zhou, Yingyao via PyMOL-users
I am a relatively new PyMOL user and would like to get some helps from the community. I have two structures for the same antibody-antigen complex (with three chains: light chain L, heavy chain H, and an antigen chain A) . Structure "base" is the experimental true structure, structure "pred" is t