@pjropp Reduce the number of atoms in a protein representation in an intelligent way. For Patrick to work on when he needs a little break from other things.

We eventually want to visualize MD simulations in blender. But if we use every atom, it will be too much. So I want to be able to define regions (like an active site) where lots of atoms are kept, but then have other regions where fewer are kept. These atoms will become bones that will be used to deform a mesh more or less as it is deformed during the simulations. Nivi is working on that part of the project.

If I'm showing my moving protein as a surface representation (as I often do), it would be good to have atoms/bones at the surface too.

I imagine this MD-in-blender system will be publishable, and it will be good preliminary data for some future ProteinVR-based NSF grant.

Good to make it pymolecule based too. :) Thanks!