This blog will show you how to compile Open Babel from source with Python bindings.

🛠️ How to Compile Open Babel with Python Bindings

Use the commands below to compile Open Babel from source with Python bindings:

git clone git://github.com/openbabel/openbabel.git
cd openbabel
mkdir build
cd build

cmake -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON \
  -DCMAKE_INSTALL_PREFIX=/opt/openbabel \
  -DENABLE_TESTS=ON ..

make
make test
sudo make install

🧪 Environment Variables

To use your newly compiled Open Babel, export the following environment variables:

export PYTHONPATH=/opt/openbabel/lib/python2.7/site-packages:$PYTHONPATH
export LD_LIBRARY_PATH=/opt/openbabel/lib:$LD_LIBRARY_PATH
export PATH=/opt/openbabel/bin:$PATH

You’re now ready to use Open Babel with Python!