VMD-L Mailing List

From: Bjoern Olausson (namdlist_at_googlemail.com)
Date: Thu Apr 22 2010 - 10:41:46 CDT

On Thursday 22 April 2010 17:11:05 Axel Kohlmeyer wrote:
> On Thu, Apr 22, 2010 at 9:51 AM, Bjoern Olausson
>
> <namdlist_at_googlemail.com> 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
> >
> > Is this possible?
>
> yes.
>
> set sel [atomselect top water]
> for {set i 0} {$i < 101} {incr i} {
> $sel frame $i
> $sel user 0.0
> }
> for {set i 101} {$i < 301} {incr i} {
> $sel frame $i
> $sel user 1.0
> }
> for {set i 301} {$i < 501} {incr i} {
> $sel frame $i
> $sel user 2.0
> }
>
> then select User as coloring style
> RBG as color scale, set 0.0 to 2.0 as
> color range and activate the Update
> color every step flag. e' voila!
>

Amazing!
Thanks a lot.

Just to avoid any further questions to your little script:

s/$sel user/$sel set user/

Except of this little mistake it works for me.

Thanks again.
Cheers
Bjoern 

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