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Analyzation of Molecular Dynamic Trajectories - PQ

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MolarVerse/PQEnalyzer

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CI codecov License: MIT

PQEnalyzer

Energy and Parameter Analyzer for Molecular Dynamic Trajectories - PQ

Installation

Install with pip:

pip install PQEnalyzer

Usage

Open the GUI by calling the PQEnalyzer via the CLI and supplying a .en file from the PQ trajectory:

pqenalyzer pq_output.en