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
Re: Problem of Calling OB with PHP (Jie Shen) by lirong wang
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by lirong wang
inchi/inchikey and WriteString by Bradley Worley
3
by Chris Morley-3
Trouble compiling python bindings on OS X by Michael Lerner
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by Geoffrey Hutchison
protonation and structure normalization by david.lagorce
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by david.lagorce
Problem of Calling OB with PHP by Jie Shen
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by Jie Shen
some problems about openBabel by hao wang
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by lirong wang
(no subject) by hao wang
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by Chris Morley-3
OS X compilation problems, for Python bindings by Rajarshi Guha-4
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by Noel O'Boyle
protonation and structure normalization by david.lagorce
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by david.lagorce
latest SVN doesn't compile Python extensions by Rajarshi Guha-4
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by Noel O'Boyle
Join sdf files by Pascal Muller-3
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by Chris Morley-3
Release candidates available for testing by Noel O'Boyle
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by Noel O'Boyle
compilation problems: openbabel, EMBOSS & zlib on Centos 5 by Brian Smith
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by Brian Smith
POVRay Export by Steve Henshaw
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by Geoffrey Hutchison
ACS by S Joshua Swamidass
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by S Joshua Swamidass
Fwd: atom naming for NMR assignments by Eiso AB-2
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by Eiso AB-2
atom naming for NMR assignments by Eiso AB
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by Craig James-2
Adding new formats by Stuart Armstrong
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by Stuart Armstrong
python import openbabel failure by TJ O'Donnell
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by TJ O'Donnell
Pybel Python Bindings (Windows) by Dlanor Slegov
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by Dlanor Slegov
iBabel problem by Elden Elmanto
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by Elden Elmanto
smiles into xyz by Dari
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by Noel O'Boyle
markush structures in openbabel by Igor Filippov [Contr...
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by Igor Filippov [Contr...
Path based fingerprint by Liu, Pu [PRDUS]
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by Chris Morley-3
Performing chemical reactions using the Open Babel C++ API by Hans De Winter
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by Craig James-2
Silicos NV releases Sieve v3 under GNU GPL version 2 by Hans De Winter
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by Hans De Winter
Extract structures from gaussian output by Age.Skjevik
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by Chris Morley-3
OBMolAngleIter() wrong angles? by Iordan Hristov
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by Geoffrey Hutchison
cansmi of molfile vs cansmi of cansmi by TJ O'Donnell
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by Geoffrey Hutchison
Modify a molecule by Prashanth Athri
1
by Geoffrey Hutchison
pybel and py2exe by Fergal Duffy
2
by Noel O'Boyle
build problems with latest source by TJ O'Donnell
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by TJ O'Donnell
Perl binding by Pavlo Musienko
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by Noel O'Boyle
pyridinium and MMFF94 by Paolo Tosco
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by Geoffrey Hutchison-3
segmentation fault in OBBuilder.Build() by Martin Guetlein
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by Martin Guetlein
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