Quantcast

openbabel-devel

This forum is an archive for the mailing list openbabel-devel@lists.sourceforge.net (more options) Messages posted here will be sent to this mailing list.
OpenBabel developers mailing list
1 ... 27282930
Topics (1035)
Replies Last Post Views
[ 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
Merging the branch by Noel O'Boyle
1
by Geoffrey Hutchison
[ openbabel-Feature Requests-2871242 ] gaussian format: partial charges by SourceForge.net
0
by SourceForge.net
Re: Canonical labels and highly symmetric molecules by Noel O'Boyle
5
by Tim Vandermeersch
Re: OBGUI on MacOSX by Geoffrey Hutchison
1
by Noel O'Boyle
1 ... 27282930