py-packman 1.4.2

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

PACKMAN: PACKing and Motion ANalysis

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

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.

WEB SERVERS

• Hinge Prediction Web Server
• hd-ANM Web Server
• Packing Entropy Web Server

RELATED RESEARCH ARTICLES

• PACKMAN-molecule
• Hinge Prediction
• Compliance
• hd-ANM
• Packing Entropy

ACKNOWLEDGEMENTS

The development of the PACKMAN package is supported by NSF grant DBI 1661391. The authors also thank ResearchIT@Iowa State University for helping with many aspects of computing.