VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Oct 12 2010 - 17:43:19 CDT

Keith,
  That selection ought to work, when you said that it doesn't work,
are you getting a syntax error, or just not getting anything selected
though you'd expect to?

I always recommend using the selection with a graphical representation
if you're having trouble getting what you want, since you can immediately
see what is/isn't being selected visually...

You can also do something like this to verify the coordinates you're
dealing with:
  set sel [atomselect top "some selection"]
  $sel get x

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Oct 12, 2010 at 05:31:02PM -0500, Keith Battle wrote:
> Hello,
> Does anyone know a way to do an [atomselect] for all atoms with an
> x-coordinate greater than a certain number? I would think it would look
> something like: set sel [atomselect top "x > 1.1234"] but I can't get that
> command to work. Any help would be greatly appreciated.
> Best,
> Keith Battle
> Research Technician
> University of South Alabama 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078