Open Babel

Open Babel is a cross-platform program and library designed to interconvert between many file formats used all branches of chemistry. Find out more at http://openbabel.org.
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Sub-Forums & Topics (959)
Replies Last Post Views
inchi - how to get rid of /f layer by RK11
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by Chris Morley-3
fingerprint format by Andy D P
2
by Noel O'Boyle
ANNOUNCE: Open Babel 2.2.2 Release by Geoffrey Hutchison-4
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by Geoffrey Hutchison-4
phmodel.h - Read pH rules and assign charges by Ronan Fleming
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by Geoffrey Hutchison
Openbabel compiling error in MS Visual studio 05 by Rob Soe
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by Rob Soe
Uninstall problem by Dott. Riccardo Romol...
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by Dott. Riccardo Romol...
Open Babel Runtime error by Rob Soe
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by Rob Soe
Java iterator classes (Was Re: code for GenerateTopologicalDistanceMatrix function) by Noel O'Boyle
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by Noel O'Boyle
Adding hydrogens to 3D structure by DimitryASuplatov
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by Tim Vandermeersch
Wrong Installation by Dott. Riccardo Romol...
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by Dott. Riccardo Romol...
openbabel-2.2.1 Fails 4 of 8 tests. by Mark Molaro
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by Geoffrey Hutchison
hex fingerprints by Andy D P
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by Noel O'Boyle
generating hexadecimal fingerprints by Andy D P
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by Andy D P
Re: [Blueobelisk-discuss] OpenSMILES: Comments in SMILES files by Craig James
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by Chris Morley-3
MinGW build by ernst-georg.schmid
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by ernst-georg.schmid
SMILES: file format definition by Craig James-2
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by Andrew Dalke
segmentation fault error by KR Sreekumar
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by Craig James-2
Fingerprinting Help by Michael Patchen
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by Noel O'Boyle
Unspecified chirality [C@?] by Craig James-2
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by Tim Vandermeersch
How to compile OpenBabel on Windows using MinGW? by Anton Simakov
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by Noel O'Boyle
Avogadro is SourceForge Community Choice Award Finalist by Geoffrey Hutchison
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by Geoffrey Hutchison
depict.emolecules.com, and downloading all eMolecules compounds by Craig James-2
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by Geoffrey Hutchison
Re: depict.emolecules.com, and downloading all eMolecules compounds by richard apodaca
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by Craig James-2
problem with sdf to mol2 by Douglas Houston
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by Geoffrey Hutchison
How to compare two OBBitVec instances with openbabel.py ? by Mingyue Zheng
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by Mingyue Zheng
Serialization merged into main branch? by Craig James-2
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by Geoffrey Hutchison
Fingerprint by Pascal Muller-3
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by Pascal Muller-3
Import OBMol from some input/output file. by Anton Simakov
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by Anton Simakov
Extract atom extra information from SDF file by Rob Soe
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by Noel O'Boyle
connecting two OBMol objects by Igor Filippov [Contr...
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by Igor Filippov [Contr...
Double bonds by Lortie, Robert
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by Lortie, Robert
Compiling on MinGW (Was [Fwd: pybel smi-can]) by Noel O'Boyle
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by Noel O'Boyle
[Fwd: pybel smi-can] by Eiso AB-2
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by Geoffrey Hutchison
Hi by Joseph Rocca
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by Tim Vandermeersch
Supercell builder by systemguy
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by Geoffrey Hutchison
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