Computer Physics Communications Program Library

Programs in Physics & Physical Chemistry

PROGRAM SUMMARY

Manuscript Title: ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equations
Authors: Ján Buša, Jozef Džurina, Edik Hayryan, Shura Hayryan, Chin-Kun Hu, Ján Plavka, Imrich Pokorný, Jaroslav Skrivánek, Ming-Chya Wu
Program title: ARVO
Catalogue identifier: ADUL
Journal reference: Comput. Phys. Commun. 165(2005)59
Programming language: FORTRAN 77.
Computer: PC Pentium; SPP'2000.
Operating system: LINUX system and Windows 98 system.
Keywords: Proteins, solvent accessible area, excluded volume, analytic method, stereographic projection, fortran package.
PACS: 87.14.Ee, 87.15.Aa, 02.60.Jh, 05.10.-a.
Classification: 3.
Nature of problem: Molecular mechanics computations, continuum percolations.
Solution method: Numerical algorithm based on the analytical formulas, after using the stereographic transformation.
Restrictions: The program does not account explicitly for cavities inside the molecule.
Running time: Depends on the size of the molecule under consideration.