NRGlab / Vcontacts

The method calculates the planes of contact the center atom makes will each atom in the contact list, then determines the points of intersection of the planes and intersections with a sphere.

Vcontacts

Commandline tool to compute surface areas in contact using the constrained Voronoi procedure from the paper: Quantification of protein surfaces, volumes and atom-atom contacts using a constrained Voronoi procedure. (doi: 10.1093/bioinformatics/18.10.1365)

To compile:

gcc -c Vcontacts-v1-2.c

gcc Vcontacts-v1-2.o -o vcontacts

To run:

./vcontacts yourpdbfile.pdb

To analyze:

Vcont.pl a wrapper to make using Vcontacs more user friendly

perl vcont.pl -h # usage of the script