VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed May 31 2017 - 16:34:50 CDT

You would either need to write a script, or you could write a small
shared library routine to do this if you're familiar with C/C++ and wanted
something faster than any scripting language would be capable of.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Sat, May 13, 2017 at 06:33:14PM -0400, The Cromicus Productions wrote:
> Hi everyone,
>
> I'd like to measure the minimum distance between two molecules
> (selections)
> in VMD. Is there an easy way to do this or should I write a TCL script
> to calculate all the possible distances between atoms of molec 1 and molec
> 2
> and then get the minimum?
>
> Thanks!
>
> Sebastian 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/