General discussion

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Topics (1264)
Replies Last Post Views
Fingerprints & plugin loading system by Jérôme Pansanel
3
by Jérôme Pansanel
Cinfony 1.1 released by Noel O'Boyle
0
by Noel O'Boyle
Using Open Babel to generate MACCS fingerprints by Kirk Simmons
1
by Noel O'Boyle
2.3.1 compilation problem by David García Aristeg...
3
by David García Aristeg...
Pybel's 'FP4' fingerprint bug report by Mingyue Zheng
4
by Mingyue Zheng
Openbabel bug/inconsistency - added H to mol inverts stereochemistry by JP
2
by Noel O'Boyle
Weird problem with Linux Version by DEC014
2
by DEC014
port GAFF parameters for use in another program by ejang
1
by Tim Vandermeersch
cmake to generate xcode project from OpenBabel by ejang
0
by ejang
"compiling open babel" documentation by David García Aristeg...
2
by Noel O'Boyle
Problem with ObConversion and Perl bindings. by Бодров Андрей
3
by Бодров Андрей
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
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