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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
Descriptors
Charge models
Release Notes

User Guide
Computational chemistry formats
CASTEP...

CASTEP format (castep)#

The format used by CASTEP.

Note

This is a read-only format.

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CAChe MolStruct format (cac, cache)

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Cacao Cartesian format (caccrt)

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