VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 19 2005 - 16:55:17 CDT

Per,
  Here's a script for you:
set sel1 [atomselect top "all"]
$sel1 frame 0
set crds1 [$sel1 get {x y z}]

set sel2 [atomselect top "all"]
$sel2 frame 1
set crds2 [$sel2 get {x y z}]

set dists {}
foreach a $crds1 b $crds2 {
  set diff [veclength [vecsub $a $b]]
  lappend dists $diff
}
puts "dists: $dists"

  John

On Tue, Oct 18, 2005 at 09:59:42PM +0200, Per Jr. Greisen wrote:
> Hey,
>
> Are there any scripts for VMD to calculate the distance between the atoms
> during different frames ?
>
> Thx
>
> --
> Best Regards
>
> Per Jr. Greisen
> +4528648657 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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