3D printing for mathematical visualisation [pdf]
math.okstate.edu
math.okstate.edu
We ended up doing a series of file format conversions using python and blender. I believe we ended up with CML (chemical markup language) imported to blender. We gave each column of the periodic table of elements a shape, and each row had a scaling factor. This gave enough distinction to uniquely identify each atom in the molecule. We added cylindrical connections between the atoms as defined in the CML file then we could export to STL.
We called it Molly-Gen, a play on molecular generation. We were working on a web portal for it to bounce around various university approvals easily to go above and beyond, then were nicely told we didn't really need to do that.
I also spent about 2 years formatting text and pictures for the student. It was an interesting job early in my undergrad years.
There's also some work done by the Jmol project:
Typically a chemistry student would have been using MacMolPlt [1] to visualize the process. If I remember right, it let you see how the atoms move during a reaction (I'm rusty on it though). It also had the ability to show orbital clouds. We were able to import the set of vertices making up the orbital clouds and generate them as a surface in Blender.
Screenshots in [2]. Unfortunately I'm having trouble finding my pictures of the final printed models. These are from an earlier version before we had the shapes by periodic table column.
He has a book with supporting material here: http://www.3dprintmath.com/