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