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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Topics (3490)
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Openbabel error in ReadFile by Kohsei Tsuji
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by Kohsei Tsuji
General discussion
SBM Crusher Supports Stone Crushing Machine Market by sbmcrusher
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by sbmcrusher
General discussion
Append molecular formula and molecular weight to SMILES format list by RicardoMBorges
0
by RicardoMBorges
openbabel-devel
How do you keep "comment-type" information ? (from an SDF file) by ashika
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by signage
General discussion
website content writing services india by bestcontent
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by bestcontent
General discussion
Reference LogP / PSA by Pascal Muller-3
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by rebeccahickshq
"b" option in INOPTIONS in python by devw
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by devw
General discussion
Pybel attribute error by Kohsei Tsuji
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by Kohsei Tsuji
General discussion
Java bindings: OBMol.SetData() by Jon Fuller
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by ACTprepclasses
General discussion
Need help in calculationg tanimoto coefficient by chakravarthy
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by alleppeyhouseboat
General discussion
OpenSMILES: Comments in SMILES files by Craig James-2
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by elizadd
Pdbqt output missing protein side chains by David van der Spoel
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by David van der Spoel
General discussion
Put atoms of target molecule in same order as reference by CodyA
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by Geoff Hutchison
General discussion
MACCS Fingerprints in pybel by david.lagorce
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by robertfcrocker
Ring conformations from builder by Stefano Forli
3
by Geoff Hutchison
openbabel-devel
Pybel: smi is not a recognised Open Babel format by Oliver Stueker-2
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by Stefano Forli
General discussion
Encoding error: python-openbabel/pybel by Keiron O'Shea [keo7]
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by Noel O'Boyle
General discussion
NSIS installation error by Walid El-Sharoud
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by Walid El-Sharoud
General discussion
modify molecules through internal coordinates by Xianghai Sheng
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by Xianghai Sheng
General discussion
NSIS Error by Walid El-Sharoud
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by Walid El-Sharoud
General discussion
Website down? by Xianghai Sheng
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by Geoff Hutchison
General discussion
Can I get force field gradient using openbabel or pybel? by xh s
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by xh s
General discussion
Reading multiple charge types from Gaussian output by Mohammad Mehdi Ghahr...
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by Mohammad Mehdi Ghahr...
openbabel-devel
pull request for an old patch by Mohammad Mehdi Ghahr...
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by Mohammad Mehdi Ghahr...
openbabel-devel
Isotope table by Noel O'Boyle
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by Geoff Hutchison
openbabel-devel
Error when doing SDF -> XYZ -> SDF by laetis69003
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by laetis69003
General discussion
OpenSMARTS specification (?) by Miguel Quirós Olozáb...
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by Craig James-2
General discussion
JSON parsing of elements by Noel O'Boyle
2
by Noel O'Boyle
openbabel-devel
Output of charge to sdf file or inchi by David van der Spoel
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by Geoff Hutchison
openbabel-devel
Babel on Extreme Systems by General discussion m...
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by Noel O'Boyle
General discussion
isotopes in graphic formats by chubukov
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by chubukov
General discussion
FP2 count of fragments by bol216
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by bol216
General discussion
Reading molecular coordinates in standard orientation by Mohammad Mehdi Ghahr...
1
by David van der Spoel
openbabel-devel
Finding the largest induced subfragment by Sam Tonddast-Navaei
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by Andrew Dalke
General discussion
Submolecule from OBMol by mwojcikowski
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by Geoff Hutchison
General discussion
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