VMD-L Mailing List

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

Huhu,

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?

Thanks,

Jan-Philip Gehrcke