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UNRES-Dock can be downloaded as gzipped tarfile of the entire package or as homology branch from git repository:

git clone
cd unres
git checkout homology

to compile the UNRES-Dock install additional programs (an instruction below is for Ubuntu, if you have access to Intel ifort compiler it is recommended instead of gfortran):

sudo apt install gfortran m4 cmake mpich

if your machine has a single version of Fortran compiler and a single version of MPI library then configure and compile UNRES in "unres" directory:

mkdir build
cd build
cmake ..

otherwise select MPICH version of MPI library using update-alternatives --config mpirun and then select the gfortran compiler:

mkdir build_gfortran
cd build_gfortran
cmake -DCMAKE_Fortran_COMPILER=gfortran ..

or Intel ifort compiler (your path to setup script of Intel ifort compiler maybe different)

source /opt/intel/parallel_studio_xe_2019/bin/psxevars.csh intel64
mkdir build_ifort
cd build_ifort
cmake -DCMAKE_Fortran_COMPILER=ifort ..

it maybe necessary to set LANG variable before cmake if you get error in cinfo.f compilation:

setenv LANG C (export LANG=C for bash/sh)
setenv LANG en_US (export LANG=en_US for bash/sh)

all UNRES executables are saved in build/bin directory, UNRES-Dock needs the following (f95 is replaced by gfortran or ifort depending on your setup):


You can also download the UNRES-Dock as a TAR.GZ package from our DOWNLOAD page.