VMD-L Mailing List

From: Michael LeVine (mlevine_at_wesleyan.edu)
Date: Thu Oct 13 2011 - 12:48:43 CDT

Hi all,

I'm currently writing a script in which I need to select all the
residues which have AT LEAST one atom within a distance of a
designated protein. Using the following commands:

set sel [atomselect top "resname X and within Y of Z"]
$sel set segname A

This only sets the segname of the atoms within Y to A, rather than all
the residues that have an atom within Y to A. This is probably
obvious.

Michael