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

Project description

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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

INSTALLATION

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

REPORTING ISSUES

Click here to report issues with any aspect of the package. Please search for the resolved issues first.

WEB SERVERS

RELATED RESEARCH ARTICLES

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.

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