hgana 0.1.0

Analysis tool for host guest binding.

HGAna: Analysis Tool for Host-Guest Binding

Documentation

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.

Dependencies

HGAna supports Python 3.5+.

Installation requires numpy, pandas and seaborn.

Installation

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 .

Testing

To test HGAna, run the test in the test directory.

Development

HGAna development takes place on Github: www.github.com/Ajax23/HGAna

Please submit any reproducible bugs you encounter to the issue tracker.

How to Cite HGAna

When citing HGAna please use the current Zenodo DOI corresponding to the used HGAna version. (Current DOI is listed in the badges.)