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Python utility to detect lipid clusters within MD simulations outputs (structure and/or trajectories)

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jhelie/cluster_lip

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cluster_lip

Python utility to detect lipid clusters within MD simulations outputs (structure and/or trajectories)

Requirements

The following Python modules are required: -MDAnalysis -scikit

Usage

python cluster_lip.py --help

Features

-clustering data for each lipid species detected -results broken down for each leaflet -time evolution of clustering behaviour -clustering statistics -2D summary of clustering behaviour -text output parsable by VMD for visualisation

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Python utility to detect lipid clusters within MD simulations outputs (structure and/or trajectories)

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