VMD-L Mailing List

From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Wed Dec 02 2015 - 19:20:53 CST

Hi all,

At present VMD has the commands:
measure bond
measure angle
measure dihed
measure imprp

each of which takes as its input a list of atom indices. However, unless I'm missing something, to get the coordinates of a single atom from its index still requires the use of three commands:
set sel [atomselect top "index $thisindex"]
set pos {*}[$sel get {x y z}]
$sel delete

Would anyone else find it useful to have a command, say, "measure pos <index>" to do this?

Thanks,

Tristan