It’s possible to calculate a vdW surface in Avogadro 2, so I’m wondering if there’s an easy way to extract the total vdW volume? (as in, the numerical value)
Not yet. It’s basically a matter of tweaking the UI - I have the code to calculate the surface area and volume of any arbitrary mesh.
The catch is that the “Molecular Properties” has been a fixed set of fields, rather than a table.
@JGrantHill MoloVol might be worth a visit as a bench mark as if the structure to be analyzed is reported in .xyz, .pdb, or .cif. An open source implementation with executables for Windows, Mac, or Debian based Linux from crystallography (MOF [poreblazer] and heterogenic catalysis is interested in this) with an open access publication in J. Appl. Cryst..
MoloVol looks perfect for my immediate needs, thanks.