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  • Introduction
  • 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
    • Overview
    • Developing Open Babel
    • Documentation
    • Adding a new test
    • Software Archaeology
  • Adding plugins
  • Supported File Formats and Options
  • Descriptors
  • Charge models
  • Release Notes
  • User Guide
  • Contributing...

Contributing to Open Babel#

  • Overview
  • Developing Open Babel
    • Developer Resources
    • Working with the Development Code
      • Keeping up to date with Git
    • Modular design of code base
    • Error Handling and Warnings
    • Lazy Evaluation
  • Documentation
    • Adding New Code
    • Modifying Old Code
    • User documentation and tutorials
  • Adding a new test
    • Running tests
    • Test using C++
    • Test using a command-line executable
    • Test the API using Python
    • Some final comments
  • Software Archaeology
    • Documentation and Code Readability
    • Code Maintenance

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