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Topics (1054)
Replies Last Post Views
Thread safety by David Lonie
1
by Geoffrey Hutchison
Reading of Raman activities by Konstantin Tokarev
0
by Konstantin Tokarev
[ openbabel-File Format Support-2895028 ] Quantum-espresso (pwscf) by SourceForge.net
0
by SourceForge.net
[ openbabel-Patches-2893477 ] Molpro format fix by SourceForge.net
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by SourceForge.net
[ openbabel-Bugs-2892008 ] SMILES to SDF drops steroinformation by SourceForge.net
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by SourceForge.net
Re: [Avogadro-devel] Cartesian editor by Konstantin Tokarev
0
by Konstantin Tokarev
Reading of Raman activities by Konstantin Tokarev
5
by Geoffrey Hutchison
[ openbabel-Bugs-2889763 ] Building bonds from resdata-templates by SourceForge.net
0
by SourceForge.net
[ openbabel-Bugs-2889708 ] SelectRootAtoms(...) efficiency by SourceForge.net
0
by SourceForge.net
aromaticity problems, part 2 by Craig James-2
3
by Craig James-2
Trouble with atom IDs by Craig James-2
8
by Craig James-2
aromaticity problems, part 1 by Craig James-2
1
by Noel O'Boyle
[ openbabel-Patches-2888693 ] PC Gamess/Firefly outputs by SourceForge.net
0
by SourceForge.net
[ openbabel-Bugs-2888510 ] Formal Charge Assignment before Aromaticity by SourceForge.net
0
by SourceForge.net
[ openbabel-Bugs-2886592 ] exporting structures into multiples files by SourceForge.net
0
by SourceForge.net
OpenBabel Symmetry Classes by Chris Morley-3
1
by Noel O'Boyle
ANNOUNCE: Avogadro 1.0 Release by Geoffrey Hutchison-3
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by Geoffrey Hutchison-3
[ openbabel-File Format Support-2884618 ] PC GAMESS/Firefly by SourceForge.net
0
by SourceForge.net
Accessing OB formats on a supercomputer by Noel O'Boyle
3
by Noel O'Boyle
[ openbabel-Bugs-2881605 ] openbabel-2.2.2/src/alias.cpp: memory leak by SourceForge.net
2
by Geoffrey Hutchison
FindChiralCenters and IsChiral by Jérôme Pansanel
3
by Jérôme Pansanel
mingw build troubles by TJ O'Donnell
7
by TJ O'Donnell
Re: pdb 2 inchi by David Osguthorpe
1
by Noel O'Boyle
Fwd: Question on Gen3D, MOPAC and two many hydrogens on nitrogen by Noel O'Boyle
4
by Geoffrey Hutchison-3
Kekulization on trunk vs 22x (Was Re: A few more aromaticity problems) by Noel O'Boyle
0
by Noel O'Boyle
[ openbabel-Bugs-2874158 ] CML 1.0 Output Error: Unknown element "floatg" by SourceForge.net
0
by SourceForge.net
Profiling OpenBabel by Noel O'Boyle
6
by Geoffrey Hutchison
Fingerprints or version problem? by Chris Swain
0
by Chris Swain
Fingerprints or version problem? by Chris Swain
0
by Chris Swain
[ openbabel-Bugs-2873407 ] Substructure search failed by SourceForge.net
0
by SourceForge.net
[ openbabel-Feature Requests-2873209 ] OBFingerprint by SourceForge.net
0
by SourceForge.net
Testing by Noel O'Boyle
2
by Tim Vandermeersch
OBFingerprint: how to get the fragments with path=1:7? by erlangener
7
by Noel O'Boyle
Re: A few more aromaticity problems by Nick England
1
by Noel O'Boyle
Systematic Rotor Search doesn't include the starting conformation by Noel O'Boyle
5
by Geoffrey Hutchison
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