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Open Babel 3.0.1 documentation
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Write software using the Open Babel library
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J. Cheminf.
2011
,
3
, 33
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Introduction
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Python
ΒΆ
Introduction
Install Python bindings
Windows
Linux and MacOSX
The openbabel module
Examples
Using iterators
Calling a method requiring an array of C doubles
Accessing OBPairData, OBUnitCell and other OBGenericData
Using FastSearch from Python
Combining numpy with Open Babel
Pybel
Atoms and Molecules
Input/Output
Fingerprints
SMARTS matching
Combining Pybel with
openbabel.py
Pybel API
Examples
Output Molecular Weight for a Multi-Molecule SDF File
Find information on all of the atoms and bonds connected to a particular atom
Examples from around the web
Split an SDF file using the molecule titles
An implementation of RECAP
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Open Babel 3.0.1 documentation
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Write software using the Open Babel library
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