VMD-L Mailing List

From: bonicoli_at_loria.fr
Date: Wed Feb 04 2009 - 10:04:40 CST

Hi,

Thank you for your response !

Reading again VMD manual, i have found how to "iterate over a range"
for a draw style property with tcl or python script.
Here is pseudo code :

for i 0..10
   mol modstyle 0 0 "VDW i" (tcl)
   moleculeRep.changeStyle("CPK 0 0 i")

(See "const char *repcmd()" in GraphicsFltkReps.h)

Cheers.

Pierre-Louis

Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu> a écrit :

> On Tue, 3 Feb 2009, bonicoli_at_loria.fr wrote:
>
> PLB> Hi,
> PLB>
> PLB> I try to create a new representation. I want that a property iterate
> PLB> automatically over a range : for example "draw style" VDW representation
> PLB> with "sphere scale" property automatically varying from 0.0 to
> 2.0 with a
> PLB> step of 0.1.
>
> iterate by what property? time step number?
>
> please note that the vdw representation uses
> the radius propery of an atom for the actual
> radius, so just resetting those radius values
> can handle that easily and that can be done
> from a script, no need to change the source.
>
> cheers,
> axel.