Skip to main content
Back to top
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
Amber Prep format (prep)
AutoDock PDBQT format (pdbqt)
DL-POLY CONFIG (CONFIG)
DL-POLY HISTORY (HISTORY)
Dock 3.5 Box format (box)
GRO format (gro)
GROMOS96 format (gr96)
LPMD format (lpmd)
MDFF format (CONTFF, MDFF, POSFF)
MacroModel format (mmd, mmod)
SIESTA format (siesta)
The LAMMPS data format (lmpdat)
Tinker XYZ format (txyz)
XTC format (xtc)
Volume data formats
JSON formats
Miscellaneous formats
Biological data formats
Obscure formats
Descriptors
Charge models
Release Notes
User Guide
Molecular dynamics and docking formats
Dock 3.5...
Dock 3.5 Box format (box)
#
Edit on GitHub