Mol_Volume - Calculate macromolecular volume
IntroductionThis 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.
ContactIf you have questions please send email to the author Alexander Balaeff, at email@example.com
- Download molvolume-1.0.src.tar.gz (Source code distribution)
LicenseSame terms as NAMD license
Please see the mol_volume.c source code header for usage information and platform-specific comments.