VMD-L Mailing List

From: Schmidt, Mike (schmidt.mj_at_pg.com)
Date: Fri Oct 23 2009 - 10:56:00 CDT

Hello,

I was wondering if you can suggest a way to make a selection based on "bonded to" or consider this for a selection enhancement. Let me describe what I mean by "bonded to".

With a hypothetical list of atoms bonded in this order, ABCDABDB, I'd like to find the B atoms that are bonded to both A and C for one case and later those B atoms bonded to A and D.

I know I can come up with a tcl script that pulls the bond list for "type B" and then can retrieve by index a new selection to get the types of the atoms in the bond list.

Any thoughts?

Thanks,
Mike