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install.sh
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install.sh
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#!/bin/bash
export GDOCK_PATH=$1
cd "$GDOCK_PATH" || exit
mkdir "$GDOCK_PATH"/src
cd "$GDOCK_PATH"/src || exit
# dcomplex
wget http://servers.sparks-lab.org/downloads/dcomplex2.tar.gz
tar zxfv dcomplex2.tar.gz
rm dcomplex2.tar.gz
cd dcomplex_single_file
sed "s|5400|54000|g" dcomplex.c > oo
mv oo dcomplex.c
sed "s|charge_inp.dat|$GDOCK_PATH/src/dcomplex_single_file/charge_inp.dat|g" dcomplex.c > oo
mv oo dcomplex.c
sed "s|\"fort.21_alla\"|\"$GDOCK_PATH/src/dcomplex_single_file/fort.21_alla\"|g" dcomplex.c > oo
mv oo dcomplex.c
g++ -o dcomplex dcomplex.c
cd "$GDOCK_PATH"/src || exit
# fcc
pip install git+https://github.com/joaorodrigues/fcc@fcc2
cd "$GDOCK_PATH"/src || exit
# haddock-tools
git clone https://github.com/haddocking/haddock-tools
cd haddock-tools
g++ -O2 -o contact-chainID contact-chainID.cpp
cd "$GDOCK_PATH"/src || exit
# profit
wget http://www.bioinf.org.uk/software/profit/235216/profit.tar.gz
tar zxvf profit.tar.gz
rm profit.tar.gz
cd ProFit_V3.3/src || exit
make
cd "$GDOCK_PATH"/src || exit
# edit paths
cd "$GDOCK_PATH" || exit
sed s"|/Users/rodrigo/repos/gdock|$GDOCK_PATH|g" etc/gdock.ini > oo
mv oo etc/gdock.ini