INSTALL

# EleKit 1.0
# Please cite the corresponding article if you use this software

# COMPILATION #######################################################

# pdb2pqr 1.8
cd ext/pdb2pqr-1.8-src
./install.sh # edit in there if needed

# apbs 1.3
cd ../../
cd ext/apbs-1.3-src
./install.sh

# EleKit

# you need OCaml and OPAM installed, cf. ocamlbrew paragraph at
# http://opam.ocamlpro.com/doc/Quick_Install.html

cd ../../
cd src
eval `opam config env`
opam install oasis batteries parmap vector3 dolog
./build.sh

# USAGE #############################################################

./elekit # for help

# working example
./elekit 2b4j-receptor 2b4j-ligandprotein ledgin1 2.0 2.0 1

# Do not hesitate to contact the authors for any help.
# Francois Berenger,
# Arnout Voet,
# Kam Y. J. Zhang