VMD-L Mailing List

From: Bjoern Olausson (namdlist_at_googlemail.com)
Date: Fri Apr 23 2010 - 04:01:19 CDT

On Thursday 22 April 2010 17:53:08 Nicholas Musolino wrote:
> On Apr 22, 2010, at 9:51 AM, Bjoern Olausson wrote:
> > Hi VMD users,
> >
> > does anyone know if it is possible to color, lets say all waters, based
> > on a time-frame range selection?
> >
> > I would like to color my waters like this:
> > Frame 000-100: RED
> > Frame 101-300: BLUE
> > Frame 301-500: GREEN
>
> In the VMD GUI, under Graphical Representations, create three
> representations.
>
> FIRST REPRESENTATION:
> selected atoms: water
> Coloring Method: ColorID, then choose value 1 (red)
> Under "Trajectory" tab, "Draw Multiple Frames" field: 0:100
>
> SECOND REPRESENTATION:
> selected atoms: water
> Coloring Method: ColorID, then choose color 2
> Under "Trajectory" tab, "Draw Multiple Frames" field: 101:300
>
> THIRD REPRESENTATION:
> selected atoms: water
> Coloring Method: ColorID, then choose color 3
> Under "Trajectory" tab, "Draw Multiple Frames" field: 301:500
>
> Note that depending how many waters there are, this will be a busy
> representaion, if you're looking at all of them at once in a single
> picture. Or were you thinking about a movie?
>
> For scripting, see "mol addrep", "mol representation", and "mol drawframes"
> commands here: http://www.ks.uiuc.edu/Research/vmd/current/ug/node135.html
>

I already tried this, but your method shows all selected Atoms at once, i was
talking about a watching the trajectorie. When you start to play, all waters
will be red, if you reach frame X then all waters will get colored blue, when
you reach frame Y all waters will be colored green....

The TCL lines from Axel Kohlmayer did the trick.

Anyway, thanks for your suggestion
Cheers
Bjoern 

-- 
Bjoern Olausson
Martin-Luther-Universität Halle-Wittenberg 
Fachbereich Biochemie/Biotechnologie
Kurt-Mothes-Str. 3
06120 Halle/Saale
Phone: +49-345-55-24942