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
consult about FAFDrugs by Du Jiangfeng (BIOCH)
1
by Noel O'Boyle
tags from sdf file by Damian Krstajic
1
by Noel O'Boyle
How to calcualate atom count and bond by Pranav Thakur
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by Geoffrey Hutchison
Interface to BOOST graph library by Prashanth Athri
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by Chris Morley-3
Re: openbabel web service (lirong wang) by lirong wang
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by lirong wang
Problem with conversion to fingerprints by Francesco Napolitano
2
by Chris Morley-3
Visualizing results from obprobe by Benjamin Horsman
1
by Geoffrey Hutchison-3
nucleic acids in pdb files by TJ O'Donnell
3
by Geoffrey Hutchison
How to stringfy a swig matrix object like matrix3*3 in openbabel?? by Ning Shen
1
by Tim Vandermeersch
How to stringfy(print the contents in ascii) of Swig Object of type 'OpenBabel::vector3 *' by Ning Shen
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by Ning Shen
How to stringfy(print the contents in ascii) of Swig Object of type 'OpenBabel::vector3 *' by Ning Shen
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by Ning Shen
inscription by Cedric MORETTI
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by Noel O'Boyle
Openbabel Segmentation fault by ADEEL malik
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by Geoffrey Hutchison
reg: invoke babel from php file by Polani, Narendra K
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by Craig James-2
Atom hybridization matching by Nina Jeliazkova
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by Nina Jeliazkova
Convert CDX file to sdf file by tejal.shah
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by Geoffrey Hutchison
sd file preparation by Andy D P
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by Andy D P
several general questions on OpenBabel usage by Andrew Voronkov
2
by Craig James-2
Can't complie OpenBabelDLL by 周锐
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by 周锐
Doing an energ/force calculation with openbabel by Troels Kofoed Jacobs...
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by Troels Kofoed Jacobs...
configure file missing by Jason Fuller
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by Noel O'Boyle
Getting gradients from force field by Troels Kofoed Jacobs...
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by Troels Kofoed Jacobs...
Compilation of Perl wrapper in Windows by Jimmy
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by Noel O'Boyle
OBFingerprint::FindFingerprint("FP2"): Link Error by Rob Soe
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by Chris Morley-3
problem reading 3F9K.pdb; babel has same problem by TJ O'Donnell
1
by Noel O'Boyle
Hi by vinay
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by vinay
splitting files by Henna Härkönen
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by Noel O'Boyle
Python-openbabel code crashes definitely on program finish by comcon1
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by Noel O'Boyle
Canonicalization by Leonid Chepelev
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by Leonid Chepelev
difficulty reading from fastsearch index by David Rose-9
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by Noel O'Boyle
need help using the openbabel toolkit by sam moors
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by Tim Vandermeersch
Re: [OpenBabel-scripting] OBConformer question by Noel O'Boyle
2
by Geoffrey Hutchison
Molecule ' s Energy by Daniel Hoegerl
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by Geoffrey Hutchison
How to obtain SMARTS-matching atoms by cristallino
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by cristallino
Convertion CT --> PDB by Mainá Bitar
2
by Noel O'Boyle
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