VMD-L Mailing List

From: Thomas C. Bishop (bishop_at_latech.edu)
Date: Tue Jul 08 2014 - 09:59:41 CDT

and note carefully that
 residue and resid
are different things

taken from John Stone
www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/5144.html

The "residue" keyword is VMD's internal residue numbering, 'resid' comes from the PDB file. (smacks hand on forehead...) John. On Wed, Aug ...


TOm




On 07/08/2014 12:03 AM, Norman Geist wrote:

      

        
-----Ursprüngliche Nachricht-----
Von: owner-vmd-l@ks.uiuc.edu [mailto:owner-vmd-l@ks.uiuc.edu] Im
Auftrag von Maxim Belkin
Gesendet: Montag, 7. Juli 2014 19:20
An: kirtana S
Cc: vmd-l@ks.uiuc.edu
Betreff: Re: vmd-l: obtain a list of residue numbers

Hi Kirtana,

try "$sel get resid".


      

      
And if you want unique lists use:

set resids [lsort -unique [$sel get resid]]

Norman Geist



      

        
"$sel list" can be written as "$sel get index"

Maxim
On Jul 7, 2014, at 12:11 PM, kirtana S <skirtana4@gmail.com> wrote:



        

          
Dear Users,

Use of $sel list provides a list of atom indices , is there a way to


        

        
obtain the residue numbers in format of a list.


        

          

Thanks
Kirtana


        

      

      


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