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)
Replies Last Post Views Sub Forum
Creating SMARTS from SMILES/InChI's - depends on canonical SMILES ? by Steffen Neumann
2
by jedacandy
Reference LogP / PSA by Pascal Muller-3
55
by rosejohn
MACCS Fingerprints in pybel by david.lagorce
16
by MollyEskam
MMFF94 type 48 and OpenBabel by Paolo Tosco
1
by jedacandy
Silicos NV releases Sieve v3 under GNU GPL version 2 by Hans De Winter
1
by jedacandy
Constrained Optimization Problem by Kasper Thofte
1
by jedacandy
code for GenerateTopologicalDistanceMatrix function by dong_li3
7
by candymika
How to generate fingerprint? by nilesh_tawari
2
by candymika
Problems with java interface by David Jessop
9
by candymika
adding hydrogen by hao wang
10
by candymika
pybel install via synaptic by Andy D P
5
by peterjohnee1
OBConversion::Write() segfault by Steffen Neumann
3
by havenhaven
Command line conversion of InChI to Mol with babel by Ronan Fleming
7
by dejaolsone
How to calcualate atom count and bond by Pranav Thakur
8
by arianapham
Filter PDB with COMPND Identifier by Jack Shultz-2
15
by nguyenthaovan
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
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