#14643 closed defect (not a bug)

protein-molecule contact log issue

Reported by: mrodriguez.81@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Structure Analysis Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

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

Change History (2)

comment:1 by Eric Pettersen, 21 months ago

Component: UnassignedStructure Analysis
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted

comment:2 by Eric Pettersen, 21 months ago

Resolution: not a bug
Status: acceptedclosed

Forwarded to chimeras-users list, where it was answered.

Note: See TracTickets for help on using tickets.