Skip to main content
Ctrl+K

Open Babel

Site Navigation

  • User Guide
  • API
  • GitHub
  • Twitter

Site Navigation

  • User Guide
  • API
  • GitHub
  • Twitter

Section Navigation

  • 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
  • Adding plugins
  • Supported File Formats and Options
    • Common cheminformatics formats
    • Utility formats
    • Other cheminformatics formats
    • Computational chemistry formats
    • Molecular fingerprint formats
    • Crystallography formats
    • Reaction formats
    • Image formats
    • 2D drawing formats
    • 3D viewer formats
    • Kinetics and Thermodynamics formats
    • Molecular dynamics and docking formats
    • Volume data formats
      • ADF TAPE41 format (t41)
      • Gaussian cube format (cub, cube)
      • OpenDX cube format for APBS (dx)
      • Point cloud on VDW surface (pointcloud)
      • STL 3D-printing format (stl)
    • JSON formats
    • Miscellaneous formats
    • Biological data formats
    • Obscure formats
  • Descriptors
  • Charge models
  • Release Notes
  • User Guide
  • Supported File Formats and Options
  • Volume data formats

Volume data formats#

  • ADF TAPE41 format (t41)
    • Read Options
  • Gaussian cube format (cub, cube)
    • Read Options
  • OpenDX cube format for APBS (dx)
  • Point cloud on VDW surface (pointcloud)
    • Write Options
  • STL 3D-printing format (stl)
    • Write Options

previous

XTC format (xtc)

next

ADF TAPE41 format (t41)

Edit on GitHub

© Copyright ©2023 The Open Babel Team.

Created using Sphinx 7.2.6.

Built with the PyData Sphinx Theme 0.14.4.