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ftdock-mpi's Introduction

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

ftdock-mpi's People

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minghao2016 birdlet wangdi2014 rnaimehaom

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