Begin forwarded message:
From: Mario Rodriguez Monteverde mrodriguez.81@alumni.unav.es Subject: protein-molecule contact log issue Date: February 26, 2024 at 2:52:17 PM PST To: "ChimeraX-bugs@cgl.ucsf.edu" ChimeraX-bugs@cgl.ucsf.edu
Good afternoon.
To whom it may concern.
I am attempting to identify the residues with which a compound (A) is interacting with a target protein (B). I opened both pdb files in ChimeraX, I selected the compound and did as follows: Tools > Structure Analysis > Contacts (selected output info to log). The results which I get are the contacts inside the same protein (prot(B) with prot(B)), instead of compound(A) with protein(B). I have tried selecting only the target protein, selecting both, creating a new pdb file with the comp and the compound together, but nothing works, I still can not get to know which residues from the compound are contacting my target prot.
How could I solve this?
Thank you
Best, Mario