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Topics (276)
Replies Last Post Views
smi support problem in pybel/openbabel python by Jianshu Hu
4
by Noel O'Boyle
Using Chemistry::OpenBabel::OBDescriptor::FindType in Perl by David Rose-9
3
by David Rose-9
chiral bug in openbabel by qiancheng shen
1
by Noel O'Boyle
question about pybel for python 3.x by S Joshua Swamidass
0
by S Joshua Swamidass
considering new SWIG binding for R by Kevin Horan-3
0
by Kevin Horan-3
Hola Scripters! by Roscoe Casita
0
by Roscoe Casita
Pybel : compute L5 return nan by Quentin Delettre
0
by Quentin Delettre
split structures into new objects by Stefan Henrich
3
by Noel O'Boyle
Data directory missing from Open Babel 2.3.1 Installation? by RichardMR
0
by RichardMR
charge wrongly calculated by Hannes Loeffler
0
by Hannes Loeffler
AllowPartiallyTrustedCallers in OBDotNet DLL? by Håvard Stranden
0
by Håvard Stranden
problem with Python/vector3 by Hannes Loeffler
1
by Noel O'Boyle
Get number of carbon atoms? by Håvard S
1
by Pascal Muller-3
Babel works in shell but not in PHP by Sangeetha Subramania...
2
by David Hall
how to re-render (polish, relayout) a molfile by Jan Hummel
1
by Noel O'Boyle
Re: [Open Babel] pybel - (howto) calculation of RMSD for two molecules (but different conformers) by Visvaldas
3
by Noel O'Boyle
Re: OSX 6.8 Openbabel python bindings by Visvaldas
2
by Visvaldas
API for generating 2D coordinates or 3D->2D conversion? by Ilya Balabin
2
by Ilya Balabin
more graceful exit for make3D on large molecules by Arturo, Steven (SG)
3
by Arturo, Steven (SG)
OSX 6.8 Openbabel python bindings by pierrelb
2
by Noel O'Boyle
OBForceField Java by Alexander Klenner-2
0
by Alexander Klenner-2
NOTICE: Closure of the openbabel-scripting mailing list by Noel O'Boyle
0
by Noel O'Boyle
script modification by Aleksandra Rudnitska...
0
by Aleksandra Rudnitska...
Script for descriptor calculation by Vasanthanathan Poong...
1
by Noel O'Boyle
pybel ring numbering by giovannicianchetta
1
by Noel O'Boyle
ANNOUNCE: Open Babel 2.3.1 Release by Geoffrey Hutchison-3
1
by Giovanni Cincilla
Open Babel Paper Published in J Cheminf by Geoffrey Hutchison-3
0
by Geoffrey Hutchison-3
Question about OBFIT and SMART pattern by Ledius
1
by Geoffrey Hutchison
"pdb" not a recognised OpenBabel format (error) by Daniel Sindhikara
6
by Daniel Sindhikara
OBConversion of mol object without input format by vulcan[omni]
1
by Noel O'Boyle
importing pybel by Daniel Sindhikara
6
by Daniel Sindhikara
SMARTS excluding by JdeBruin
3
by Pascal Muller-3
extracting SMARTS from SMILES molecule by Gonzalo Hernandez
0
by Gonzalo Hernandez
Determine Atoms are in same ring by JdeBruin
1
by Geoffrey Hutchison
Distance between atoms by JdeBruin
2
by JdeBruin
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