packing_defect๏ƒ

๐Ÿ–‹๏ธ Authors: R. Jay Braun Jr.
๐Ÿ  Project home: https://github.com/jaybraunjr/packing_defect
๐Ÿ“– Documentation: https://packing-defect.readthedocs.io
โš–๏ธ License: GPL-2.0-only
๐Ÿ”‘ Keywords: MDAnalysis, membrane, protein, packing defects, lipids, molecular dynamics
๐Ÿงช Tests (latest): packing_defect develop CI status
๐Ÿงช Tests (develop): packing_defect develop CI status
Description:
Analyze membrane packing defects from MD trajectories using grid-based stamping, leaflet classification, and connected-component clustering. Quantify protein-membrane interactions and contains options for visualization.

Installation instructions๏ƒ

The source code of packing_defect can be installed using the following:

pip install git+https://github.com/jaybraunjr/packing_defect@main