openbabel-devel
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2010/06/30
Re: [OpenBabel-Devel] C-Se bond is not recognized as rotable
Geoffrey Hutchison
2010/06/30
Re: [OpenBabel-Devel] C-Se bond is not recognized as rotable
Konstantin Tokarev
2010/06/30
[OpenBabel-Devel] User docs
Noel O'Boyle
2010/06/29
Re: [OpenBabel-Devel] C-Se bond is not recognized as rotable
Konstantin Tokarev
2010/06/29
[OpenBabel-Devel] [ openbabel-Bugs-3022955 ] Memory leak in OBConversion::LoadFormatFiles() (v2.2.3)
SourceForge.net
2010/06/29
Re: [OpenBabel-Devel] C-Se bond is not recognized as rotable
Geoffrey Hutchison
2010/06/28
Re: [OpenBabel-Devel] Format option documentation
Noel O'Boyle
2010/06/28
[OpenBabel-Devel] [ openbabel-Bugs-3022295 ] Crash in stereo code when converting to CML
SourceForge.net
2010/06/25
[OpenBabel-Devel] [ openbabel-Feature Requests-3021321 ] Silverlight support
SourceForge.net
2010/06/24
Re: [OpenBabel-Devel] SSSR and other ring sets
Tim Vandermeersch
2010/06/24
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Marcus D. Hanwell
2010/06/23
[OpenBabel-Devel] [ openbabel-Bugs-3020362 ] Bug or auto-protonation?
SourceForge.net
2010/06/23
Re: [OpenBabel-Devel] SSSR and other ring sets
Noel O'Boyle
2010/06/23
Re: [OpenBabel-Devel] SSSR and other ring sets
Craig A. James
2010/06/23
Re: [OpenBabel-Devel] SSSR and other ring sets
Tim Vandermeersch
2010/06/23
Re: [OpenBabel-Devel] SSSR and other ring sets
Noel O'Boyle
2010/06/22
Re: [OpenBabel-Devel] SSSR and other ring sets
Tim Vandermeersch
2010/06/22
Re: [OpenBabel-Devel] SSSR and other ring sets
Tim Vandermeersch
2010/06/22
Re: [OpenBabel-Devel] SSSR and other ring sets
Greg Landrum
2010/06/22
[OpenBabel-Devel] SSSR and other ring sets
Tim Vandermeersch
2010/06/22
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/22
Re: [OpenBabel-Devel] SSSR vs LSSR
Craig A. James
2010/06/22
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/22
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/22
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/22
Re: [OpenBabel-Devel] SSSR vs LSSR
Noel O'Boyle
2010/06/22
Re: [OpenBabel-Devel] SSSR vs LSSR
Noel O'Boyle
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Craig A. James
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Geoffrey Hutchison
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Geoffrey Hutchison
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Craig A. James
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Craig A. James
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Craig A. James
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/21
Re: [OpenBabel-Devel] Format option documentation
Chris Morley
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Tim Vandermeersch
2010/06/21
Re: [OpenBabel-Devel] SSSR vs LSSR
Geoffrey Hutchison
2010/06/21
Re: [OpenBabel-Devel] SSSR bug
Tim Vandermeersch
2010/06/21
[OpenBabel-Devel] SSSR vs LSSR
Craig A. James
2010/06/21
Re: [OpenBabel-Devel] SSSR bug
Geoffrey Hutchison
2010/06/21
[OpenBabel-Devel] Format option documentation
Noel O'Boyle
2010/06/19
[OpenBabel-Devel] SSSR bug
Tim Vandermeersch
2010/06/18
[OpenBabel-Devel] [ openbabel-Bugs-3018188 ] mol2formats.cpp : ReadMolecule() efficiency
SourceForge.net
2010/06/18
Re: [OpenBabel-Devel] API & ABI monitoring of OpenBabel
Tim Vandermeersch
2010/06/18
Re: [OpenBabel-Devel] Nightly doxygen build
Tim Vandermeersch
2010/06/18
Re: [OpenBabel-Devel] Nightly doxygen build
Noel O'Boyle
2010/06/18
Re: [OpenBabel-Devel] Nightly doxygen build
Konstantin Tokarev
2010/06/18
Re: [OpenBabel-Devel] Nightly doxygen build
Konstantin Tokarev
2010/06/18
[OpenBabel-Devel] Nightly doxygen build
Noel O'Boyle
2010/06/18
[OpenBabel-Devel] API & ABI monitoring of OpenBabel
Konstantin Tokarev
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
David C . Lonie
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
Noel O'Boyle
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
David Lonie
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
David Lonie
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
Geoffrey Hutchison
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
Noel O'Boyle
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
David Lonie
2010/06/17
Re: [OpenBabel-Devel] Compilation error in trunk
Noel O'Boyle
2010/06/17
[OpenBabel-Devel] Compilation error in trunk
David Lonie
2010/06/17
[OpenBabel-Devel] [ openbabel-Bugs-3017553 ] SSSR reports a wrong number of rings in some cases
SourceForge.net
2010/06/15
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Tim Vandermeersch
2010/06/15
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Craig A. James
2010/06/15
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Geoffrey Hutchison
2010/06/15
Re: [OpenBabel-Devel] Documentation (Was: State of OB features) (Tim Vandermeersch)
Geoffrey Hutchison
2010/06/15
[OpenBabel-Devel] [ openbabel-Bugs-3016479 ] nan in steepest-descent stage
SourceForge.net
2010/06/13
[OpenBabel-Devel] [ openbabel-Bugs-3015546 ] SMILES parsing of cis/trans stereo at ring closures
SourceForge.net
2010/06/13
Re: [OpenBabel-Devel] pybel and openbabel
Noel O'Boyle
2010/06/13
Re: [OpenBabel-Devel] Memory leak detection with MSVC2008
Noel O'Boyle
2010/06/12
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Carsten Niehaus
2010/06/12
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Konstantin Tokarev
2010/06/11
[OpenBabel-Devel] [ openbabel-Bugs-3014855 ] CML hydrogenCount attribute handling bug
SourceForge.net
2010/06/11
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Igor Filippov [Contr]
2010/06/11
[OpenBabel-Devel] [ openbabel-Bugs-3014776 ] Writing out SDF file with placeholder B atoms segfaults
SourceForge.net
2010/06/11
[OpenBabel-Devel] [ openbabel-Bugs-3014774 ] Copyformat does not work with files with CRLF line endings
SourceForge.net
2010/06/11
Re: [OpenBabel-Devel] Memory leak detection with MSVC2008
Chris Morley
2010/06/11
Re: [OpenBabel-Devel] Memory leak detection with MSVC2008
Noel O'Boyle
2010/06/10
Re: [OpenBabel-Devel] Memory leak detection with MSVC2008
Tim Vandermeersch
2010/06/10
Re: [OpenBabel-Devel] Memory leak detection with MSVC2008
Tim Vandermeersch
2010/06/10
[OpenBabel-Devel] Memory leak detection with MSVC2008
Noel O'Boyle
2010/06/10
Re: [OpenBabel-Devel] Memory leak detection with MSVC2008
Noel O'Boyle
2010/06/10
Re: [OpenBabel-Devel] Memory leak detection with MSVC2008
Chris Morley
2010/06/10
[OpenBabel-Devel] [ openbabel-Bugs-3014398 ] Segfault on Windows with --filter
SourceForge.net
2010/06/10
Re: [OpenBabel-Devel] pybel and openbabel
Richard Hall
2010/06/10
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Noel O'Boyle
2010/06/10
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Tim Vandermeersch
2010/06/09
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Noel O'Boyle
2010/06/09
Re: [OpenBabel-Devel] Documentation (Was: State of OB features) (Tim Vandermeersch)
Chris Swain
2010/06/08
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Tim Vandermeersch
2010/06/08
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Noel O'Boyle
2010/06/08
Re: [OpenBabel-Devel] Documentation (Was: State of OB features)
Craig A. James
2010/06/08
[OpenBabel-Devel] Documentation (Was: State of OB features)
Tim Vandermeersch
2010/06/06
Re: [OpenBabel-Devel] Perl bindings on Linux
Noel O'Boyle
2010/06/06
Re: [OpenBabel-Devel] Perl bindings on Linux
Noel O'Boyle
2010/06/06
Re: [OpenBabel-Devel] Perl bindings on Linux
Konstantin Tokarev
2010/06/06
[OpenBabel-Devel] Perl bindings on Linux
Noel O'Boyle
2010/06/04
Re: [OpenBabel-Devel] Problems in using openbabel DLL on Windows, VisualStudio
Chris Morley
2010/06/03
[OpenBabel-Devel] Problems in using openbabel DLL on Windows, VisualStudio
채종학
2010/06/02
[OpenBabel-Devel] [ openbabel-Bugs-3010741 ] incorrect cansmi: rings with =O substituents
SourceForge.net
2010/06/01
Re: [OpenBabel-Devel] [Avogadro-devel] Details of the branchy workflow
My Th
2010/05/29
Re: [OpenBabel-Devel] [Avogadro-devel] Details of the branchy workflow
Konstantin Tokarev
2010/05/29
Re: [OpenBabel-Devel] [Avogadro-devel] Details of the branchy workflow
Konstantin Tokarev
2010/05/27
Re: [OpenBabel-Devel] Time of nightly build
Noel O'Boyle
2010/05/27
Re: [OpenBabel-Devel] Time of nightly build
Noel O'Boyle
2010/05/26
Re: [OpenBabel-Devel] Time of nightly build
Marcus D. Hanwell
2010/05/26
[OpenBabel-Devel] [ openbabel-Bugs-3007642 ] can't make cansmiles for [H][H]
SourceForge.net
2010/05/26
Re: [OpenBabel-Devel] Time of nightly build
Geoffrey Hutchison
2010/05/26
Re: [OpenBabel-Devel] Time of nightly build
Noel O'Boyle
2010/05/26
Re: [OpenBabel-Devel] Time of nightly build
Geoffrey Hutchison
2010/05/26
Re: [OpenBabel-Devel] C-Se bond is not recognized as rotable
Konstantin Tokarev
2010/05/26
Re: [OpenBabel-Devel] [Avogadro-devel] Bond order 0
Konstantin Tokarev
2010/05/26
Re: [OpenBabel-Devel] [Avogadro-devel] Bond order 0
Geoffrey Hutchison
2010/05/26
Re: [OpenBabel-Devel] [Avogadro-devel] Bond order 0
Konstantin Tokarev
2010/05/26
Re: [OpenBabel-Devel] [Avogadro-devel] Bond order 0
Geoffrey Hutchison
2010/05/26
Re: [OpenBabel-Devel] C-Se bond is not recognized as rotable
Geoffrey Hutchison
2010/05/26
[OpenBabel-Devel] C-Se bond is not recognized as rotable
Konstantin Tokarev
2010/05/25
[OpenBabel-Devel] Time of nightly build
Noel O'Boyle
2010/05/23
[OpenBabel-Devel] New OpenBabel2Config files
Marcus D. Hanwell
2010/05/23
[OpenBabel-Devel] [ openbabel-Bugs-3005987 ] endless calculating fingerprints
SourceForge.net
2010/05/20
Re: [OpenBabel-Devel] Including the SWIG bindings in the distribution
Noel O'Boyle
2010/05/19
Re: [OpenBabel-Devel] Including the SWIG bindings in the distribution
Marcus D. Hanwell
2010/05/19
Re: [OpenBabel-Devel] Finding rotors with OpenBabel
Geoffrey Hutchison
2010/05/19
[OpenBabel-Devel] Finding rotors with OpenBabel
Konstantin Tokarev
2010/05/17
Re: [OpenBabel-Devel] Request for const iterator over atoms of OBMol
Noel O'Boyle
2010/05/17
Re: [OpenBabel-Devel] Request for const iterator over atoms of OBMol
Tim Vandermeersch
2010/05/17
Re: [OpenBabel-Devel] Request for const iterator over atoms of OBMol
Noel O'Boyle
2010/05/17
Re: [OpenBabel-Devel] Request for const iterator over atoms of OBMol
Tim Vandermeersch
2010/05/17
[OpenBabel-Devel] Request for const iterator over atoms of OBMol
Noel O'Boyle
2010/05/17
[OpenBabel-Devel] [ openbabel-Bugs-3002585 ] On Linux and Mac, piping multimol CML through babel fails
SourceForge.net
2010/05/13
[OpenBabel-Devel] Proposal on 2.2.4
Konstantin Tokarev
2010/05/10
Re: [OpenBabel-Devel] [cml/ccml-discuss] Some common needed properties in CML
Peter Murray-Rust
2010/05/10
[OpenBabel-Devel] Some common needed properties in CML
Konstantin Tokarev
2010/05/10
Re: [OpenBabel-Devel] XML changes
Noel O'Boyle
2010/05/09
Re: [OpenBabel-Devel] XML changes
Chris Morley
2010/05/09
[OpenBabel-Devel] XML changes
Noel O'Boyle
2010/05/09
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Konstantin Tokarev
2010/05/09
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Michael Banck
2010/05/09
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Michael Banck
2010/05/09
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Konstantin Tokarev
2010/05/08
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Michael Banck
2010/05/08
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Konstantin Tokarev
2010/05/08
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Chris Morley
2010/05/08
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Konstantin Tokarev
2010/05/08
Re: [OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Chris Morley
2010/05/08
[OpenBabel-Devel] Molpro XML output reading support - possible pitfall
Konstantin Tokarev
2010/05/07
Re: [OpenBabel-Devel] StripSalts
Chris Morley
2010/05/07
Re: [OpenBabel-Devel] 2D structures pass unchanged through the OBBuilder
Noel O'Boyle
2010/05/07
Re: [OpenBabel-Devel] 2D structures pass unchanged through the OBBuilder
Geoffrey Hutchison
2010/05/07
[OpenBabel-Devel] [ openbabel-Feature Requests-2998160 ] Improve conformer-related API
SourceForge.net
2010/05/07
Re: [OpenBabel-Devel] 2D structures pass unchanged through the OBBuilder
Tim Vandermeersch
2010/05/07
Re: [OpenBabel-Devel] 2D structures pass unchanged through the OBBuilder
Noel O'Boyle
2010/05/07
Re: [OpenBabel-Devel] StripSalts
Noel O'Boyle
2010/05/06
Re: [OpenBabel-Devel] Build fails on Linux after changes to tokenst.h
Geoffrey Hutchison
2010/05/06
[OpenBabel-Devel] Build fails on Linux after changes to tokenst.h
Noel O'Boyle
2010/05/06
[OpenBabel-Devel] 2D structures pass unchanged through the OBBuilder
Noel O'Boyle
2010/05/06
Re: [OpenBabel-Devel] StripSalts
Chris Morley
2010/05/06
[OpenBabel-Devel] StripSalts
Noel O'Boyle
2010/05/04
[OpenBabel-Devel] [ openbabel-Bugs-2996661 ] GetExactMass causes segfault on Ds
SourceForge.net
2010/05/04
[OpenBabel-Devel] [ openbabel-Bugs-2996386 ] Inconsistent stereo matching?
SourceForge.net
2010/04/28
[OpenBabel-Devel] [ openbabel-Feature Requests-2993547 ] Give access to BODR data
SourceForge.net
2010/04/27
Re: [OpenBabel-Devel] Can't build OB with Python 2.6.5
Noel O'Boyle
2010/04/27
Re: [OpenBabel-Devel] Can't build OB with Python 2.6.5
Konstantin Tokarev
2010/04/27
Re: [OpenBabel-Devel] Can't build OB with Python 2.6.5
Noel O'Boyle
2010/04/26
Re: [OpenBabel-Devel] Including the SWIG bindings in the distribution
Geoffrey Hutchison
2010/04/26
Re: [OpenBabel-Devel] Including the SWIG bindings in the distribution
Noel O'Boyle
2010/04/26
Re: [OpenBabel-Devel] Including the SWIG bindings in the distribution
Geoffrey Hutchison
2010/04/26
[OpenBabel-Devel] [ openbabel-Bugs-2992369 ] 2 memory leaks
SourceForge.net
2010/04/23
[OpenBabel-Devel] Including the SWIG bindings in the distribution
Noel O'Boyle
2010/04/22
Re: [OpenBabel-Devel] [Avogadro-devel] Building superpackage with Python
Konstantin Tokarev
2010/04/22
Re: [OpenBabel-Devel] [Avogadro-devel] Building superpackage with Python
Noel O'Boyle
2010/04/22
Re: [OpenBabel-Devel] [Avogadro-devel] Building superpackage with Python
Konstantin Tokarev
2010/04/21
Re: [OpenBabel-Devel] OpenBabel fails to build on Linux after recent charge model changes
Geoffrey Hutchison
2010/04/21
Re: [OpenBabel-Devel] Can't build OB with Python 2.6.5
Konstantin Tokarev
2010/04/21
[OpenBabel-Devel] OpenBabel fails to build on Linux after recent charge model changes
Noel O'Boyle
2010/04/21
Re: [OpenBabel-Devel] Can't build OB with Python 2.6.5
Noel O'Boyle
2010/04/21
Re: [OpenBabel-Devel] Can't build OB with Python 2.6.5
Konstantin Tokarev
2010/04/21
Re: [OpenBabel-Devel] Can't build OB with Python 2.6.5
Noel O'Boyle
2010/04/21
[OpenBabel-Devel] Can't build OB with Python 2.6.5
Konstantin Tokarev
2010/04/21
[OpenBabel-Devel] Python installation
Noel O'Boyle
2010/04/20
Re: [OpenBabel-Devel] [Open Babel] openbabel web service
Tim Vandermeersch
2010/04/15
Re: [OpenBabel-Devel] InChI test "failures" on Mac/Linux
Geoffrey Hutchison
2010/04/15
Re: [OpenBabel-Devel] InChI test "failures" on Mac/Linux
Noel O'Boyle
2010/04/15
Re: [OpenBabel-Devel] segfault on Mac
Noel O'Boyle
2010/04/15
Re: [OpenBabel-Devel] InChI test "failures" on Mac/Linux
Chris Morley
2010/04/13
Re: [OpenBabel-Devel] segfault on Mac
Andrew Dalke
2010/04/13
Re: [OpenBabel-Devel] segfault on Mac
Geoffrey Hutchison
2010/04/12
Re: [OpenBabel-Devel] segfault on Mac
Noel O'Boyle
2010/04/12
Re: [OpenBabel-Devel] chemene/jsdraw
Noel O'Boyle
2010/04/12
Re: [OpenBabel-Devel] segfault on Mac
Andrew Dalke
2010/04/12
[OpenBabel-Devel] chemene/jsdraw
Craig Swank
2010/04/12
Re: [OpenBabel-Devel] segfault on Mac
Noel O'Boyle
2010/04/12
Re: [OpenBabel-Devel] segfault on Mac
Andrew Dalke
2010/04/12
Re: [OpenBabel-Devel] InChI test "failures" on Mac/Linux
Geoffrey Hutchison
2010/04/12
Re: [OpenBabel-Devel] InChI test "failures" on Mac/Linux
Noel O'Boyle
2010/04/12
Re: [OpenBabel-Devel] InChI test "failures" on Mac/Linux
Geoffrey Hutchison
2010/04/12
[OpenBabel-Devel] InChI test "failures" on Mac/Linux
Geoffrey Hutchison
2010/04/12
Re: [OpenBabel-Devel] segfault on Mac
Andrew Dalke
2010/04/12
Re: [OpenBabel-Devel] segfault on Mac
Noel O'Boyle
2010/04/12
Re: [OpenBabel-Devel] segfault on Mac
Andrew Dalke
Later messages