py-packman 1.2.10

A software package for molecular PACKing and Motion ANalysis (PACKMAN)

[](https://travis-ci.com/Pranavkhade/PACKMAN) [](https://py-packman.readthedocs.io/en/latest/?badge=latest) [](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/)