Author: Arvind Sivasubramanian
Email: arvind_sivasub@yahoo.com

This directory contains three scripts for computational mutagenesis
analysis of RosettaDock decoys. For each decoy, use Rosetta Interface 
mode to generate binding free energy changes (ddG values) for
individual interface residue mutations; then, use the scripts to
identify decoys that are consistent with the known experimental data
available for these mutations.

The scripts do the following tasks.

1. create_mut_table.pl : Takes as input a list of mutations and
   formats these into a table compatible with the interface mode
   input.

2. create_mut_table_all.pl : Similar to #1, except that the mutation
   table contains an all-to-all mutations of interface residues. This
   script requires an interface file (*.int, which can be created
   using findcontacts.py )

3. calc_decoy_hits.pl : Once the Rosetta Interface mode calculations
   for the docking decoys are complete, this script is used to
   identify those decoys that are consistent with experimental data on
   the coressponding mutations

The "example" directory contains some sample input/output files that
may be used to test the Rosetta Interface mode.
The sample_interfacemode_output directory contains a set of 50 Rosetta
Interface output files ( *.out files ) that may be used to understand
the behavior of the calc_decoy_hits.pl script.
