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Open Babel

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  • User Guide
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Site Navigation

  • User Guide
  • API
  • GitHub
  • Twitter

Section Navigation

  • Introduction
    • Goals of the Open Babel project
    • Frequently Asked Questions
    • Thanks
  • Install Open Babel
  • obabel - Convert, Filter and Manipulate Chemical Data
  • The Open Babel GUI
  • Tutorial on using the GUI
  • Molecular fingerprints and similarity searching
  • obabel vs Chemistry Toolkit Rosetta
  • 2D Depiction
  • 3D Structure Generation
  • Molecular Mechanics and Force Fields
  • Write software using the Open Babel library
  • Cheminformatics 101
  • Stereochemistry
  • Handling of aromaticity
  • Radicals and SMILES extensions
  • Contributing to Open Babel
  • Adding plugins
  • Supported File Formats and Options
  • Descriptors
  • Charge models
  • Release Notes
  • User Guide
  • Introduction

Introduction#

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

  • Goals of the Open Babel project
  • Frequently Asked Questions
    • General
    • Features, Formats, Roadmap
    • What’s in it for me to contribute?
  • Thanks

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