Installing using conda¶
fragmenter with conda run the following
conda install -c omnia fragmenter
Installing from source¶
fragmenter from source, clone or download the GitHub repo.
From inside the
fragmenter directory, run the following:
python setup.py install
This command will not install dependencies. All dependencies are in the
fragmenter is tested with python 3.6.
This toolkit uses OpenEye as a dependency so licenses for oechem, oequacpac and oeomega are required.
fragmenter is still pre-alpha. It is not fully tested and the API is still in flux.