VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Jun 16 2016 - 04:39:19 CDT

Pls fix:

set avg_center [$sel get {x y y}]

to

set avg_center [$sel get {x y z}]
$sel delete

#note the x y z

> -----Ursprüngliche Nachricht-----
> Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im
> Auftrag von Norman Geist
> Gesendet: Donnerstag, 16. Juni 2016 09:54
> An: 'Irem Altan' <irem.altan_at_duke.edu>
> Cc: VMD Mailing List <vmd-l_at_ks.uiuc.edu>
> Betreff: AW: vmd-l: zooming into a chosen atom
>
> Yes, doing some TCL programming it's possible. (adapted from some of my
> other codes, untested)
>
> #settings
> set index 1234
> set molid 0
>
> #set global rotation/zoom center to atom coords
> set sel [atomselect $molid "index $index"]
> set avg_center [$sel get {x y y}]
> eval "molinfo $molid set center [list [list $avg_center]]"
>
> #optionally translate to have the atom in the middle of the graphics
> set global_matrix [lindex [molinfo top get global_matrix] 0]
> set ctrans [list [lindex [lindex $global_matrix 0] 3] [lindex [lindex
> $global_matrix 1] 3] [lindex [lindex $global_matrix 2] 3]]
> eval "translate to $ctrans"
>
> Now use "scale" to zoom to that atom.
>
> Mir freundlichen Grüßen
>
> Norman Geist
>
> > -----Ursprüngliche Nachricht-----
> > Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im
> > Auftrag von Irem Altan
> > Gesendet: Mittwoch, 15. Juni 2016 22:56
> > An: vmd-l_at_ks.uiuc.edu
> > Betreff: vmd-l: zooming into a chosen atom
> >
> > Hi,
> >
> > I was wondering: is it possible to zoom into a selected atom
> automatically?
> > Given an atom index, is it possible to center the camera around it?
> >
> > Best,
> > Irem