I'm specifically looking for things like how to enter the coordinates
of atoms so that we can build the molecule within the 3-D graphing.
Also how to then use the hydrogen bond, van der Waals features that
come up in the Jmol. I've started figuring out how to do some of the
basic computations for
What sorts of computations do you do in your research?
Sage can handle exact and numerical linear algebra problems, which
might come up in dealing with Hamiltonians in quantum. It also has
excellent support for doing group-theory calculations, which might
also arise.
The interactive 3D graphics
