General discussion

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Topics (1264)
Replies Last Post Views
seg faults on molecules with dummy atoms by Igor Filippov [Contr...
2
by Igor Filippov [Contr...
Correction on building Open Babel with MSVC 10 by radifar
1
by Noel O'Boyle
Open Babel Paper Published in J Cheminf by Geoffrey Hutchison-3
3
by Giovanni Cincilla
Convert Problem : SVG from SDF by 유민재
5
by Noel O'Boyle
Issues with mol2 files by erapp
2
by Geoffrey Hutchison
how 2 calculate partial charges indipendently from those of input file? by Giovanni Cincilla
2
by Giovanni Cincilla
OBDotNet : OpenBabel.openbabel_csharpPINVOKE exception by Brüngger Adrian
8
by Brüngger Adrian
very strange canonical SMILES (BUG? or normal behaviour) by Giovanni Cincilla
5
by Craig James-2
smarts matching using the command line by Martin Guetlein
5
by Martin Guetlein
Fw: Interfacing C/C++ and Python with openbabel.py by Mingyue Zheng
5
by Mingyue Zheng
ANN: chemfp-1.0 by Andrew Dalke
0
by Andrew Dalke
corresponding fragment for each fp2 fingerprint bit by Martin Guetlein
6
by Martin Guetlein
ImportError: dynamic module does not define init function (init_openbabel) by mirix
12
by mirix
Custom atom type by andi
0
by andi
Python, openbabel, generation of InChIs and InChIKeys for proton and protonated molecular hydrogen from SMILES by Ken Smith
8
by Igor Filippov
Reading CML bug by Weerapong Phadungsuk...
1
by Chris Morley-3
error files attached by varunimast
1
by Craig James-2
problem with pybel on windows 7 by coalmeister
2
by Noel O'Boyle
Gasteiger-Marsili partial charge calculation by Lan-Chun Tu
0
by Lan-Chun Tu
SDF conversion error by DavidFlicker
6
by DavidFlicker
How do I know what's mean of atom type? by budgerigar
5
by budgerigar
logp by Andy D P
0
by Andy D P
SDF conversion test results by Róbert Kiss
10
by Róbert Kiss
Presentation on Open Babel at US Govt Chemical Database Meeting by Noel O'Boyle
2
by Geoffrey Hutchison
Java? by A. Heifets-2
1
by Martin Kamp Jensen
OpenBabel GUI crash on Windows by Kerry Fowler
0
by Kerry Fowler
MAC installation: What directory the source codes have installed? by Ivan Stepanek
1
by Geoffrey Hutchison
Shortest path between 2 atoms by Pascal Muller-3
5
by Tim Vandermeersch
Re: [OpenBabel-scripting] SMARTS by Pascal Muller-3
0
by Pascal Muller-3
InChI 2 InChI key conversion by pmaietta
1
by Chris Morley-3
Reading XTC format does not seem to work by Martin Kamp Jensen
5
by Martin Kamp Jensen
OBConversion() is required before finding a 2.3.0 plugin by Andrew Dalke
2
by Fredrik Wallner
any change to FP4 in svn? by Andrew Dalke
2
by Andrew Dalke
Re: obabel PNG depiction speedup and make test failures by Noel O'Boyle
1
by Vedrin Jeliazkov
First time installing open-babel inder linux by John McKelvey
1
by Noel O'Boyle
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