Metadata-Version: 2.1
Name: hgana
Version: 0.1.0
Summary: Analysis tool for host guest binding.
Home-page: https://github.com/Ajax23/HGAna
Author: Hamzeh Kraus
Author-email: kraus@itt.uni-stuttgart.de
License: UNKNOWN
Description: # HGAna: Analysis Tool for Host-Guest Binding
        
        [![PyPI Version](https://img.shields.io/badge/PyPI-0.1.0-orange)](https://pypi.org/project/HGAna/)
        [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://github.com/Ajax23/HGAna/blob/master/LICENSE)
        [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5137390.svg)](https://doi.org/10.5281/zenodo.5137390)
        [![Build Status](https://github.com/Ajax23/HGAna/actions/workflows/workflow.yml/badge.svg)](https://github.com/Ajax23/HGAna/actions/workflows/workflow.yml)
        [![codecov](https://codecov.io/gh/Ajax23/HGAna/branch/master/graph/badge.svg)](https://codecov.io/gh/Ajax23/HGAna)
        [![Language grade: Python](https://img.shields.io/lgtm/grade/python/g/Ajax23/HGAna.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/Ajax23/HGAna/context:python)
        
        ## Documentation
        
        Online documentation is available at [ajax23.github.io/HGAna](http://ajax23.github.io/HGAna).
        
        The docs include an example for analyzing [binding affinity](http://ajax23.github.io/HGAna/affinity.html) for cyclodextrin simulations and an [API reference](http://ajax23.github.io/HGAna/api.html).
        
        
        ## Dependencies
        
        HGAna supports Python 3.5+.
        
        Installation requires [numpy](https://pypi.org/project/numpy/), [pandas](https://pypi.org/project/pandas/) and  [seaborn](https://pypi.org/project/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](https://github.com/Ajax23/HGAna)
        
        Please submit any reproducible bugs you encounter to the [issue tracker](https://github.com/Ajax23/HGAna/issues).
        
        
        ## 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.)
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Requires-Python: >=3.5
Description-Content-Type: text/markdown
