Mol_Volume - Calculate macromolecular volume
Introduction
This program calculates the volume of a macromolecule by a method somewhat akin to the Monte Carlo method, namely, by measuring how many vertices of a dense regular grid happen to be within the probe radius of the molecule's atoms. The volume is then calculated as
V = V_grid * N_near / N_total = N_near * V_per_node.
Contact
If you have questions please send email to the author Alexander Balaeff, at sure@ks.uiuc.edu
Download
- Download molvolume-1.0.src.tar.gz (Source code distribution)
License
Same terms as NAMD license
Documentation
Please see the mol_volume.c source code header for usage information and platform-specific comments.
