VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Apr 23 2003 - 15:24:57 CDT

Hi,
  Here's a second short script fragment that sets invidual atoms with
different user color data over time, and different among the atoms
in the molecule (loaded the alanin.pdb test file a few times to create
a trajectory of sorts), compare this loop with the other script and
you'll see the difference in how it works:

set numframes [molinfo top get numframes]
for {set i 0} {$i < $numframes} {incr i} {
  animate goto $i
  set numatoms [molinfo top get numatoms]
  for {set j 0} {$j < $numatoms} {incr j} {
    set sel [atomselect top "index $j" frame $i]
    $sel set user [expr $i + $j]
    $sel delete
  }
}

# set color scale range on rep
mol scaleminmax 0 0 0.000000 164.000000

On Tue, Apr 22, 2003 at 06:44:35PM -0700, Paul Tangney wrote:
> Dear VMD-l,
>
> I have tried the new beta version of VMD.
> I have a long PDB trajectory from which I would like to color the atoms
> according to "beta" and I would like to update this coloring at each step.
>
> Apparently this is implemented in the new version but I can't seem to get it
> to work. Selecting "Update color every frame" under "Graphical
> Representations"
> doesn't seem to make any difference.
> Can anybody help me with this ?
>
> Thanks in advance,
>
> Paul 

-- 
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