General discussion

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Topics (1264)
Replies Last Post Views
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
silicos website down? by Rajarshi Guha-4
1
by Noel O'Boyle
OBDotNet : question about openbabel_csharp.dll file by Demolliens Alain
0
by Demolliens Alain
gzmat to xyz by Peyman Z.Moghadam
1
by Chris Morley-3
problem converting to povray by Steven Wathen
6
by Noel O'Boyle
cif to xyz conversion by Ricardo Righetto
1
by Geoffrey Hutchison
Wrong bond orders, aromaticity, hydrogens, ... when dealing with coordination chemistry compounds by Miguel Quirós Olozáb...
5
by Miguel Quirós Olozáb...
building Open Babel on Ubuntu by Steven Wathen
5
by Noel O'Boyle
add hydrogens to a graphene patch by Ruggero Gabbrielli
1
by Geoffrey Hutchison
AddInIndex and FastSearch incompatibility? by A. Heifets-2
1
by Chris Morley-3
Re: Help: everything compile well... But no results by Tim Vandermeersch
0
by Tim Vandermeersch
Windows 7 (64 bit) compatibility by Richard V. Williams
2
by Noel O'Boyle
problems compiling openbabel on 64bit RHEL5 by Mike Lipkin, BioFocu...
3
by Geoffrey Hutchison
Segfault cause? by A. Heifets-2
3
by Geoffrey Hutchison
How do I add multiple properties to SDF output? by A. Heifets-2
2
by Noel O'Boyle
convert to aromtic (not kekulized) sdf by Martin Guetlein
6
by Craig James-2
Reg. obchiral output issue by shashi
3
by Geoffrey Hutchison
How can i do that by aun syed
3
by Igor Filippov
Compilation problems of subversion by Patrick Henritzi
1
by Martin Kamp Jensen
openbabel.jar in 2.3 out of date? by Martin Kamp Jensen
12
by Martin Kamp Jensen
[SPAM] Quero ser seu amigo no Quepasa.com by Bruno Cramer
0
by Bruno Cramer
InChI comparison using babel by nms_uk
3
by Noel O'Boyle
Respecting constraints when altering molecule by Martin Kamp Jensen
1
by Geoffrey Hutchison
Split SDF file in chunks by JP
3
by Noel O'Boyle
atom/bond association by Chris Mullins
1
by Noel O'Boyle
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