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Open Babel
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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
Ball and Stick format (bs)
Chem3D Cartesian 1 format (c3d1)
Chem3D Cartesian 2 format (c3d2)
Chemical Resource Kit 3D format (crk3d)
Ghemical format (gpr)
Maestro format (mae, maegz)
Molden format (mold, molden, molf)
PCModel Format (pcm)
UniChem XYZ format (unixyz)
ViewMol format (vmol)
XCrySDen Structure Format (axsf, xsf)
YASARA.org YOB format (yob)
Kinetics and Thermodynamics formats
Molecular dynamics and docking formats
Volume data formats
JSON formats
Miscellaneous formats
Biological data formats
Obscure formats
Descriptors
Charge models
Release Notes
User Guide
3D viewer formats
Molden...
Molden format (mold, molden, molf)
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Read Options
#
-b
no bonds
-s
no multiple bonds
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Read Options
Edit on GitHub