VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 22 2007 - 17:25:01 CDT

Hi,
  You want this command (with a random origin):
molinfo top set center {{100 0 0 }}

Try that and let me know if you have further questions.

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jun 21, 2007 at 04:35:40PM +0200, Tim Meyer wrote:
> dear all,
> there have been some similar mails around however i'm still not capable
> to get vmd do what i want:(
>
> in one sentence: i want to do exactly what the interactive mouse-center
> + mouse pick_atom sequence does but in tcl.
>
> i want to set the center_matrix and in a way that later scaling zooms
> towards the picked atom and not towards origin and later rotation
> rotates about the picked atom instead origin.
>
> so of what i understood the center_matrix should look like
>
> >set mat {
> { 1 0 0 $x}
> { 0 1 0 $y}
> { 0 0 1 $z}
> }
>
> where x,y,z are the coordinates of my picked atom.
>
> however when i set the center matrix
>
> >molinfo top set center_matrix [list $mat]
>
> this moves the whole molecule until my atom is in the origin. however i
> dont want any translation! so when i do the centering by mouse the
> global_matrix and rotate_matrix are automatically recalculated to
> compensate for the center_matrix
>
> how can i calculate the new global_matrix and rotate_matrix in tcl?
>
> this is for movie making so i'd like to zoom onto a specific atom,
> rotate around it and return to the initial view!
>
> if there is a smarter way to attack this problem please let me know
>
> thank in advance
>
> tim
> 

-- 
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