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 (3583)
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Reading multiple charge types from Gaussian output by Mohammad Mehdi Ghahr...
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by elizadd
openbabel-devel
MACCS Fingerprints in pybel by david.lagorce
2
by robertfcrocker
No possible SMILES? by Noel O'Boyle
5
by robertfcrocker
openbabel-devel
DiSCuS [pre-release] - Database System for Compound Selection by mwojcikowski
1
by robertfcrocker
General discussion
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
4
by Stefano Forli
General discussion
Encoding error: python-openbabel/pybel by Keiron O'Shea [keo7]
1
by Noel O'Boyle
General discussion
NSIS installation error by Walid El-Sharoud
0
by Walid El-Sharoud
General discussion
modify molecules through internal coordinates by Xianghai Sheng
2
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
1
by Geoff Hutchison
General discussion
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by toefl1
General discussion
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by toefl1
General discussion
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by butler7717
General discussion
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by butler7717
General discussion
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by butler7717
General discussion
Rooney in the effectiveness by aooinkss
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by aooinkss
General discussion
When the bustling by aooinkss
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by aooinkss
General discussion
There is no doubt that by aooinkss
0
by aooinkss
General discussion
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by aooinkss
General discussion
Buy IELTS certificate online Without Taking Exam Afghanistan (ieltscert2017@yahoo.com) by kiajames
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by kiajames
General discussion
Can I get force field gradient using openbabel or pybel? by xh s
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by xh s
General discussion
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by toefl1
General discussion
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by toefl1
General discussion
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by toefl1
General discussion
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0
by toefl1
General discussion
pull request for an old patch by Mohammad Mehdi Ghahr...
12
by Mohammad Mehdi Ghahr...
openbabel-devel
Isotope table by Noel O'Boyle
1
by Geoff Hutchison
openbabel-devel
Error when doing SDF -> XYZ -> SDF by laetis69003
0
by laetis69003
General discussion
OpenSMARTS specification (?) by Miguel Quirós Olozáb...
3
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
1
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
0
by chubukov
General discussion
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by toefl1
General discussion
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