Hi Patrick, The calculation of volume enclosed in the triangulated surface is trivial. I just choose any point (say the first vertex of the surface), then sum up the volumes of the tetrahedrons formed by that point and each triangle face making up the surface. (Some of those tetrahedrons are inverted and have negative volume.) This gives the exact volume enclosed in the surface which is defined by triangles. One small catch is that I need to check that the surface has no holes since then the volume is not well-defined. For a solvent excluded surface there will be no holes. Tom Patrick Redmill wrote:
Hey guys, One more quick question. Is there a non-trivial calculation associated with the surface enclosed volume? Or is it just a numerical integration between the surfaces? If it's non-trivial, is there a good ref for the algorithm? Thanks!
~Patrick