VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Feb 24 2006 - 17:07:48 CST

Manali,
  You can use this to eliminate duplicates:
puts $outfile [lsort -unique [$sel get resid]]

  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Feb 24, 2006 at 04:54:12PM -0600, Manali Joshi wrote:
> Hi,
>
> I am trying to find protein residues that contact the substrate.
> I use the following:
>
> set sel [atomselect top "(protein within 4 of resid 700 and segname XYZ) and not segname XYZ"]
> puts $outfile [$sel get resid]
>
> However since this is an atomselection if there are two atoms of a residue within 4 Angstrom of resid 700 it will print the residue number twice.
> 610 610
>
> Is there any way i can get this number only once ? Something like a residueselect rather than atomselect ?
>
> Thanks for any help in advance.
>
> -Manali
>
>
> 

-- 
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