VMD-L Mailing List

From: Ignacio Fernández Galván (jellby_at_yahoo.com)
Date: Fri Oct 23 2009 - 03:29:22 CDT

--- On Fri, 2/10/09, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> compiling a single plugin for dynamic linkage is straightforward.
> you don't really have to use the full VMD build infrastructure
> for that. there should be some info in the developer docs online.
> i can also send you a makefile that i've been using for the
> HOOMD plugin (which is not part of the VMD distribution), that
> works well on different kinds of linux machines.

I would appreciate it if you could send me the necessary instructions to having it started. I'm not a newbie at compiling source packages, but I must be doing something wrong.

Regarding the orbital representation, I would like it to draw simultaneously positive and negative parts, with different colours, but with the same other settings. Currently I can get it in two ways:

- Duplicate the representation, change the sign of the isosurface value and change the colour. The downside is every change I want to make I have to make it in the two representations.

- Create cube files with the amplitude and its absolute value. Use the second in an isosurface representation, coloured by valume with the first. This has all the shortcomings of cube files, and requires preprocessing and GLSL capable display.

Would it be possible to add an option for this kind of representation to the orbital representation GUI? Or maybe I'm missing it already?

Thanks,
Ignacio