Open Babel

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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How to calcualate atom count and bond by Pranav Thakur
8
by arianapham
Command line conversion of InChI to Mol with babel by Ronan Fleming
6
by arianapham
MACCS Fingerprints in pybel by david.lagorce
13
by ameliaweigall
Reference LogP / PSA by Pascal Muller-3
25
by alanabui
Problems with java interface by David Jessop
8
by alicetaylor
adding hydrogen by hao wang
8
by alanabui
Filter PDB with COMPND Identifier by Jack Shultz-2
15
by nguyenthaovan
code for GenerateTopologicalDistanceMatrix function by dong_li3
6
by phamyen123
OpenSMILES: Comments in SMILES files by Craig James-2
12
by bulksmsusa
problem with sdf->pdb conversion by Roni Gordon
16
by aladanh
Openbabel error in ReadFile by Kohsei Tsuji
0
by Kohsei Tsuji
General discussion
SBM Crusher Supports Stone Crushing Machine Market by sbmcrusher
0
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
3
by signage
General discussion
website content writing services india by bestcontent
0
by bestcontent
General discussion
"b" option in INOPTIONS in python by devw
3
by devw
General discussion
Pybel attribute error by Kohsei Tsuji
0
by Kohsei Tsuji
General discussion
Java bindings: OBMol.SetData() by Jon Fuller
3
by ACTprepclasses
General discussion
Need help in calculationg tanimoto coefficient by chakravarthy
18
by alleppeyhouseboat
General discussion
Pdbqt output missing protein side chains by David van der Spoel
0
by David van der Spoel
General discussion
Put atoms of target molecule in same order as reference by CodyA
3
by Geoff Hutchison
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
0
by Walid El-Sharoud
General discussion
Website down? by Xianghai Sheng
1
by Geoff Hutchison
General discussion
Can I get force field gradient using openbabel or pybel? by xh s
0
by xh s
General discussion
Reading multiple charge types from Gaussian output by Mohammad Mehdi Ghahr...
4
by Mohammad Mehdi Ghahr...
openbabel-devel
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
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