From: Jan-Philip Gehrcke (
Date: Tue Jul 24 2012 - 07:58:04 CDT


for me it was difficult to build a VMD script line that sets a
representation type with non-default properties. The following line for
example took me a long time to build until it had the desired effect:

mol rep isosurface -1050 0 0 1 1 1

One needs to know the meaning of the (in that case) six arguments to the
Isosurface representation. As I was not able to find documentation on
these arguments, I had to extract the information from AtomRep.C,
DrawMolItemVolume.C and from try/error.

I would not consider this advanced usage, because for drawing
isosurfaces via script, it should for example be straight forward to
switch between solid surface representation or wireframe.

If I now had to display some molecule in Licorice representation with a
high bond and sphere resolution (again, nothing pretty special I
believe), I would not know where too look that API up except for AtomRep.C.

Is there proper documentation for this scripting API or do we have to
look into the code?


Jan-Philip Gehrcke