VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Feb 21 2014 - 10:08:16 CST

Hi,
  Have a look at the sscache script, which does modify the
secondary structure assignments (by updating them with cached values
from previous computed runs):
  http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/sscache/
   
You want to use an atom selection to do what you're trying to do:
  set sel [atomselect top "resid 10 to 38"]
  $sel set structure H
  $sel delete

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Feb 21, 2014 at 02:46:02PM +0100, Beat Meier wrote:
> I am try to change the secondary structure assignment in vmd.
> Following the receipy on the FAQ page, I tried
>
> vmd > structure 2 {resid 10 to 38} helix
>
> and get the error message.
>
> invalid command name "structure"
>
> what am I doing wrongly?
> Beat 

-- 
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/