Online documentation is available at ajax23.github.io/HGAna.
The docs include an example for analyzing binding affinity for cyclodextrin simulations and an API reference.
HGAna supports Python 3.5+.
Installation requires numpy, pandas and seaborn.
You may instead want to use the development version from GitHub:
pip install git+https://github.com/ajax23/HGAna.git#egg=hgana
pip install git+https://github.com/ajax23/HGAna.git@develop#egg=hgana
Or download the repository and install in the top directory via:
pip install .
To test HGAna, run the test in the test directory.
HGAna development takes place on Github: www.github.com/Ajax23/HGAna
Please submit any reproducible bugs you encounter to the issue tracker.
When citing HGAna please use the current Zenodo DOI corresponding to the used HGAna version. (Current DOI is listed in the badges.)