User Guide

• Quickstart
  • Getting Help
  • Usage
  • Step 1: Calculate the required quantities using GROMACS
  • Step 2: Collate into HDF5 file
• Install
  • System Requirements
  • Conda Installation
  • Linux Installation
  • Windows Installation
  • Development Version
  • External Dependencies
• Uninstall
• Free Energy Landscapes
  • Free Energy Landscapes from xvg files
  • Plot Free Energy Landscapes from HDF Files
  • Plot Free Energy Landscapes Overlaid with Trajectory Points
• Surface Electrostatic Potential Per Residue
• Electric Field Dynamics
• Residue Property Plot
  • How to interact with the plot
  • Annotations
• Contact/H-bond matrix
  • Motivation
  • Steps
  • Bonus Tip
• Contributing
  • Types of Contributions
  • Development
• History
  • 0.1.0 (2019-09-06)
  • 0.2.0 (2020-04-10)

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Quickstart