Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
For more information about Open Babel, check the Open Babel website.
This is a fork of the Open Babel project, optimized for parallelization of compound processing in ACGui. To successfully compile the project, please follow the instructions below:
git clone https://github.com/miemiemmmm/openbabel.git
cd openbabel && mkdir build && cd build
# Replace here with the desired path for installation and python executable
cmake -DRUN_SWIG=ON -DCMAKE_INSTALL_PREFIX=%INSTALLATION_PATH% -DPYTHON_BINDINGS=ON -DPYTHON_EXECUTABLE:FILEPATH=%PYTHON_EXECUTABLE% -DCMAKE_EXPORT_COMPILE_COMMANDS=ON ../;
make -j8 VERBOSE=1;
make test;
make install