General discussion

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Topics (1287)
Replies Last Post Views
Re: Gasteiger partial charges and the -p option by Douglas Houston
3
by Douglas Houston
Re: Problem reading pdbqt files from .dlg (Autodock 4) by David García Aristeg...
0
by David García Aristeg...
Is there any other way to generate unique SMILES ? by chakravarthy
4
by Giovanni Cincilla
Wrong gasteiger atomic partial charges. BUG? by Giovanni Cincilla
0
by Giovanni Cincilla
OBForceField in java by Alexander Klenner-2
2
by Alexander Klenner-2
Babel strange behaviour (.fs empty) by David García Aristeg...
2
by Chris Morley-3
obconformer probelm by Aleksandra Rudnitska...
1
by Geoffrey Hutchison
Feature request - transparent background when converting to svg by JP
4
by Chris Morley-3
Language bindings for java by Alexander Klenner-2
0
by Alexander Klenner-2
Re: Substructure searching an fast search indexed database by Kirk Simmons
1
by Tim Vandermeersch
OpenBabel v 2.2.3 installer by Kirk Simmons
1
by Chris Morley-3
Fastsearch format (fs) stored in a chemical structure database by David García Aristeg...
17
by Craig James-2
Babel time notation by David García Aristeg...
1
by Steven Wathen
problem with Eigen2 while compiling on Mac Lion by Hassan Thomas Mamdan...
2
by Hassan Thomas Mamdan...
compilation problem with msvs 2010 by pavkudr
0
by pavkudr
compilation problem with msvs 2010 by pavkudr
0
by pavkudr
MMFF94 and RNA Quadruplexes by ejang
3
by ejang
Scripting Vortex by christopherswain@btc...
0
by christopherswain@btc...
GetData string options. by Gglumov
3
by Reinis Danne
Suppress OpenBabel warnings in Eclipse by mpillong
2
by Noel O'Boyle
How do i cast OBGenericData to OBOrbitalData in Python ? by kzfm ohkw
2
by kzfm ohkw
smiles from SDF by Paul Jones
3
by Chris Morley-3
ANNOUNCE: Open Babel 2.3.1 Release by Geoffrey Hutchison-3
2
by Giovanni Cincilla
problem with conversion from smi to fs followed by similarity search by Chris Mayne
9
by Noel O'Boyle
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
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