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

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License

Same terms as NAMD license

Documentation

Please see the mol_volume.c source code header for usage information and platform-specific comments.