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
OBConversion::Write() segfault by Steffen Neumann
3
by havenhaven
Reference LogP / PSA by Pascal Muller-3
34
by christinatasiou
Command line conversion of InChI to Mol with babel by Ronan Fleming
7
by dejaolsone
adding hydrogen by hao wang
9
by Gasbagsion
pybel install via synaptic by Andy D P
4
by arianapham
How to calcualate atom count and bond by Pranav Thakur
8
by arianapham
MACCS Fingerprints in pybel by david.lagorce
13
by ameliaweigall
Problems with java interface by David Jessop
8
by alicetaylor
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
Floating sub-forum
General discussion (1202 topics)
4096
by Kohsei Tsuji
Floating sub-forum
openbabel-devel (1046 topics)
3125
by RicardoMBorges
Floating sub-forum
openbabel-scripting (277 topics)
905
by Nitish Garg
Floating sub-forum
openbabel-announce (10 topics)
10
by Geoffrey Hutchison-3
Re: Problem with CIF to PDB conversion (symmetry extesion) by Vincent Favre-Nicoli...
25
by wellisson
building python wrapper from current source by TJ O'Donnell
7
by Carlos Fenollosa
Doubt about extracting functional groups by David García Aristeg...
13
by cristallino
Iterating over atoms + atom deletion by Pascal Muller-3
3
by Geoffrey Hutchison
write of fs index incomplete by Phil Evans
1
by Chris Morley-3
Constrained Optimization Problem by Kasper Thofte
0
by Kasper Thofte
How to generate fingerprint? by nilesh_tawari
1
by Chris Morley-3
Hello World by Seth Call
1
by Steffen Neumann
Re: Creating SMARTS from SMILES/InChI's - depends on canonical SMILES ? by Steffen Neumann
1
by Tim Vandermeersch
Atom numbering unification by Dmitry Osolodkin-2
6
by Dmitry Osolodkin-2
MMFF94 type 48 and OpenBabel by Paolo Tosco
0
by Paolo Tosco
Strange problem with non-root users by David García Aristeg...
15
by user.name
Re: Release candidates available for testing by Douglas Houston
4
by Chris Morley-3
Java SWIG bindings OS X Compilation 2.2.7 source by Swetnam, James
2
by Swetnam, James
Re: Strange problem with non-root users (with SuSE package) by Noel O'Boyle
0
by Noel O'Boyle
meeting a puzzle by hao wang
1
by Geoffrey Hutchison
Creating SMARTS from SMILES/InChI's - depends on canonical SMILES ? by Steffen Neumann
1
by Steffen Neumann
Release of SIEVE v3 as open source package by Hans De Winter
1
by Hans De Winter
Inchi 1.03 by beginner_
0
by beginner_
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