plotProfile documentation¶

Welcome to the plotProfile documentation! This package provides tools for visualizing reaction profile energies.

https://static.pepy.tech/badge/plotprofile

Features¶

🎯 Professional Publication-Ready Plots: Generate high-quality reaction profiles suitable for journals and presentations
🔧 Extensive Customization: Colors, line styles, annotations, units, and layout options
📊 Flexible Data Input: Support for multiple reaction pathways, diastereomers, and individual transition states
🚀 Easy Integration: Works seamlessly with Jupyter notebooks and Python scripts

Quick Example¶

from plotProfile import ReactionProfilePlotter

energy_sets = {
    "Pathway A": [0.00, -2.0, 10.2, 1.4, -1.5, 2.0, -7.2],
    "Pathway B": [None, -2.0, 6.2, 4.3, 5.8, 2.0],
}

plotter = ReactionProfilePlotter()
plotter.plot(energy_sets, filename="../images/profile0")

Example 0