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Topics (1218)
Replies Last Post Views
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
pybel - (howto) calculation of RMSD for two molecules (but different conformers) by JP
13
by Noel O'Boyle
Openbabel compiling error in MSVS C++ 2008 by Robert Johnson
1
by Noel O'Boyle
"Any ideas why this doesn't work..." (babel: cannot write output format!) by JP
1
by Noel O'Boyle
Problems Compiling OpenBabel for x64 Windows by Jimmy G Lafontaine R...
14
by Geoffrey Hutchison
Is there a way to get babel to believe *only* CONECT records in input PDB by Thomas Womack
2
by Geoffrey Hutchison-3
problem with undefined symbol in openbabel for python by Amelie Stein
1
by Noel O'Boyle
Query Structure search by Mayuri Aggarwal
1
by Geoffrey Hutchison-3
How OBMol.SetTorsion changes bonded neighbors and maybe avoiding it by Martin Kamp Jensen
8
by Martin Kamp Jensen
How do i get dipole moment using python openbabel wrapper ? by kzfm ohkw
2
by kzfm ohkw
Re: cif to xyz conversion by SourceForge.ZAF
3
by Geoffrey Hutchison
Error When Running Program by Jimmy G Lafontaine R...
3
by Chris Morley-3
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