VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Oct 25 2004 - 13:49:14 CDT

Hi,
  You should be aware that "noh" equates to "not hydrogen", and that
when expanded in your atom selections, they'll read somewhat differently
than you're expecting them to. I suspect this is likely what is causing
your problem, though without your structure I'm not certain.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Oct 25, 2004 at 02:42:37PM -0400, Luis Gracia wrote:
> Hi!
>
> We are having a problem with the use of the "same as" expression. The
> selection
> "(exwithin 2 of resid 210) and noh"
> correctly shows 2 atoms (of resids 71 and 76), while
> "(same resid as exwithin 2 of resid 210) and noh"
> fails showing also resids 124 and 128.
>
> Using the short circuit expression
> "noh exwithin 2 of resid 210"
> again correctly shows only the 2 atoms of resids 71 and 76, and
> "same resid as noh exwithin 2 of resid 210"
> correctly shows only the two complete resids 71 and 76.
>
> Is there something we are missing in the second expression? I am using
> vmd 1.8.2 on a linux box. I can attach a pdb file upon request (235Kb),
> but don't want to make any inconvinience for everybody.
>
> Thanks,
>
> Luis
>
> --
> Luis Gracia, PhD
> Department of Physiology & Biophysics
> Weill Medical College of Cornell University
> 1300 York Avenue, Box 75
> New York, NY 10021
>
> Tel: (212) 746-6375
> Fax: (212) 746-8690
> lug2002_at_med.cornell.edu 

-- 
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