[gmx-users] Calculating Molecular Volumes

[Donald E. Elmore]

Hi--

I was reading in the paper describing the make_hole protocol
(Faraldo-Gomez, Smith, and Samson, Eur. Biophys. J 2002) that one can
calculate the molecular volume of a protein structure using HOLE.  (By
getting the cross-sectional area along one dimension and then integrating
over that dimension.)  I've used HOLE (v. 2) to calculate pore radii, but
I couldn't find how to get the area of the whole molecule from the
documentation.  I'm probably just missing it, but I thought one of you
might be able to point me in the right direction.

Thanks!

-Don Elmore