Metadata-Version: 2.1
Name: py-packman
Version: 1.2.10
Summary: A software package for molecular PACKing and Motion ANalysis (PACKMAN)
Home-page: https://github.com/Pranavkhade/PACKMAN
Author: Pranav Khade
Author-email: pranavk@iastate.edu
License: MIT
Keywords: protein,dynamics,protein packing,protein domain,protein hinge
Platform: UNKNOWN
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: MacOS
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Mathematics
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: networkx
Requires-Dist: mlxtend
Requires-Dist: scikit-learn

[![Build Status](https://travis-ci.com/Pranavkhade/PACKMAN.svg?branch=master)](https://travis-ci.com/Pranavkhade/PACKMAN) [![Documentation Status](https://readthedocs.org/projects/py-packman/badge/?version=latest)](https://py-packman.readthedocs.io/en/latest/?badge=latest) [![Downloads](https://pepy.tech/badge/py-packman)](https://pepy.tech/project/py-packman)


PACKMAN: PACKing and Motion ANalysis
------------------------------------
<img src="https://github.com/Pranavkhade/PACKMAN/blob/master/docs/_static/gallary/logo.gif" width="250">

This package focuses on studying molecular structures and their dynamics using a simple yet informative property known as Protein Packing. Over the last few years, we have worked on several techniques to capture and quantify the protein packing, resulting in a few publications. This package has all the code to repeat and further develop these techniques.


DOCUMENTATION
-------------
* [IMPORTANT : Documentation, Tutorials & More](https://py-packman.readthedocs.io)
* [Hinge Prediction Web Server](https://packman.bb.iastate.edu/)
* [hd-ANM Web Server](https://hdanm.bb.iastate.edu/)
* [Reference for Hinge Prediction](https://doi.org/10.1016/j.jmb.2019.11.018)
* [Reference for Compliance](https://doi.org/10.1002/prot.25968)
* [Reference for hd-ANM](coming_soon)

INSTALLATION
------------

1. Installing with pip (Recommended)
```
pip install py-packman
```

2. Installing from source
```
git clone https://github.com/Pranavkhade/PACKMAN
cd PACKMAN
python setup.py install
```

HOW TO USE
----------

PACKMAN, along with its components, can be accessed via Graphical User Interface (GUI), Command-line Interface (CLI), and Application programming interface (API).

For the GUI, please run the following command.
```
python -m packman gui
```
OR
```
python3 -m packman gui
```

For the CLI and API, please read the tutorials & documentation.

PREREQUISITES
-------------

* [numpy](http://www.numpy.org/)

* [scipy](https://www.scipy.org/)

* [networkx](https://networkx.github.io/)

* [mlxtend](http://rasbt.github.io/mlxtend/)

* [sklearn](https://scikit-learn.org/stable/)

