VMD-L Mailing List

From: Jan-Philip Gehrcke (jgehrcke_at_googlemail.com)
Date: Mon Aug 20 2012 - 06:24:17 CDT

Let me ask again..: have I missed a part in the documentation or is
looking into the code the only way to find the information?

Thanks,

JP

On 07/24/2012 02:58 PM, Jan-Philip Gehrcke wrote:
> 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