ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equations

Abstract
In calculating the solvation energy of proteins, the hydration effects, drug binding, molecular docking, etc., it is important to have an efficient and exact algorithms for computing the solvent accessible surface area and the excluded volume of macromolecules. Here we present a Fortran package based on the new exact analytical methods for computing volume and surface area of overlapping spheres. In the considered procedure the surface area and volume are expressed as surface integrals of the...

Title of program: ARVO
Catalogue Id: ADUL_v1_0

Nature of problem
Molecular mechanics computations, continuum percolations.

Versions of this program held in the CPC repository in Mendeley Data
ADUL_v1_0; ARVO; 10.1016/j.cpc.2004.08.002
ADUL_v2_0; ARVO-CL; 10.1016/j.cpc.2012.04.019

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)