vdw-surfgen
Wrote the titular package because we care about supramolecular chemistry. I will come back someday to clarify the Fibonnacci sphere algorithm, but for now, the gist is that the code uses the generation of an evenly spaced point sphere around a group of points in space to generate the Van der-Waals surface for a molecule. It counts the atoms as the origin points and the atomic VdW surfaces as the spheres. Then it excludes crossing points between spheres to create the accurate molecular VdW surface. ...