fpocketR Documentation

A CLI tool to find, characterize, and visualize drug-like RNA-ligand binding pockets in RNA structures (static or dynamic).

fpocketR is an RNA-specific wrapper for fpocket 4.0.

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For installation, quickstart, usage, demonstration workflows, citation, copyright, and acknowledgements, use the navigation tabs.

Contents

• Installation
  • Recommended: Conda + pip
  • Testing your installation
• Quickstart Guide
  • Activate the fpocketR Environment
  • Basic Structure Analysis
  • Secondary Structure Visualization
  • Multistate Analysis
  • Apo/Holo Analysis
  • Additional Arguments
• Usage
• Demonstration Workflows
• How to Cite fpocketR
• Copyright
• Acknowledgements

Support

For questions, bug reports, or feature requests, please use the GitHub Issues tab.