/ftdock-mpi

MPI parallel version of the FTDock protein-protein docking algorithm

Primary LanguageCGNU General Public License v2.0GPL-2.0

FTDock

This is an adapted version of the original FTDock software (Imperial Cancer Research, 2001) with distributed-memory capabilities using the MPI paradigm.

The file grid.c includes a modified version of the function to calculate the total grid span in order to use a faster version of the correlation functions from FFTW.

Citation

If you use this version of FTDock, please cite it:

DOI

Setup

Please, edit Makefile in order to include your local FFTW 2.1.5 library installation path.

To compile:

export MPI_CC=gcc
make clean
make