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• • Re: [OpenBabel-Devel] Errors in implicit Hs Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Errors in implicit Hs Noel O'Boyle
  • Re: [OpenBabel-Devel] Errors in implicit Hs Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Errors in implicit Hs Noel O'Boyle
  • Re: [OpenBabel-Devel] Errors in implicit Hs Noel O'Boyle
• Re: [OpenBabel-Devel] [OpenBabel-Updates] SF.net SVN: openbabel:[4137] openbabel/trunk/src/alias.cpp Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [OpenBabel-Updates] SF.net SVN: openbabel:[4137] openbabel/trunk/src/alias.cpp Chris Morley
  • Re: [OpenBabel-Devel] [OpenBabel-Updates] SF.net SVN: openbabel:[4137] openbabel/trunk/src/alias.cpp Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [OpenBabel-Updates] SF.net SVN: openbabel:[4137] openbabel/trunk/src/alias.cpp Noel O'Boyle
• [OpenBabel-Devel] Equivalent of disable-dynamic-modules in ob-2.3.x ? Steffen Neumann
  • Re: [OpenBabel-Devel] Equivalent of disable-dynamic-modules in ob-2.3.x ? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Equivalent of disable-dynamic-modules in ob-2.3.x ? Steffen Neumann
• [OpenBabel-Devel] [ openbabel-Bugs-3081532 ] Handling of bad SMILES (two cis/trans symbols in a row) SourceForge.net
• [OpenBabel-Devel] [ openbabel-Bugs-3081474 ] Off-by-one error in isotope handling in SDF->InChI SourceForge.net
• [OpenBabel-Devel] InChI -> SMILES -> InChI roundtrip error for both HEAD and 2.2.3 Steffen Neumann
  • Re: [OpenBabel-Devel] InChI -> SMILES -> InChI roundtrip error for both HEAD and 2.2.3 Noel O'Boyle
  • Re: [OpenBabel-Devel] InChI -> SMILES -> InChI roundtrip error for both HEAD and 2.2.3 Steffen Neumann
  • Re: [OpenBabel-Devel] InChI -> SMILES -> InChI roundtrip error for both HEAD and 2.2.3 Noel O'Boyle
• Re: [OpenBabel-Devel] 3D Generation algorithm Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3081374 ] Memory leak in OBConversion::InstallStreamFilter() SourceForge.net
• [OpenBabel-Devel] Canonical SMILES performance...revisited Noel O'Boyle
  • Re: [OpenBabel-Devel] Canonical SMILES performance...revisited Noel O'Boyle
  • [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Chris Morley
  • Re: [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Geoffrey Hutchison
  • Re: [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Geoffrey Hutchison
  • Re: [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Tim Vandermeersch
  • Re: [OpenBabel-Devel] SMILES bug Geoffrey Hutchison
  • Re: [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Tim Vandermeersch
  • Re: [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Craig A. James
  • Re: [OpenBabel-Devel] SMILES bug Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Canonical SMILES performance...revisited Craig A. James
  • Re: [OpenBabel-Devel] Canonical SMILES performance...revisited Craig A. James
  • Re: [OpenBabel-Devel] Canonical SMILES performance...revisited Tim Vandermeersch
  • Re: [OpenBabel-Devel] Canonical SMILES performance...revisited Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Canonical SMILES performance...revisited Tim Vandermeersch
  • [OpenBabel-Devel] another multiple canonical SMILES Craig A. James
  • Re: [OpenBabel-Devel] another multiple canonical SMILES Tim Vandermeersch
  • [OpenBabel-Devel] more multiple canonical SMILES Craig A. James
  • Re: [OpenBabel-Devel] more multiple canonical SMILES Geoffrey Hutchison
  • Re: [OpenBabel-Devel] more multiple canonical SMILES Craig A. James
  • [OpenBabel-Devel] weekend SMILES canonicalization errors Craig A. James
  • Re: [OpenBabel-Devel] weekend SMILES canonicalization errors Geoffrey Hutchison
  • Re: [OpenBabel-Devel] weekend SMILES canonicalization errors Tim Vandermeersch
  • Re: [OpenBabel-Devel] weekend SMILES canonicalization errors Geoffrey Hutchison
  • Re: [OpenBabel-Devel] weekend SMILES canonicalization errors Tim Vandermeersch
  • Re: [OpenBabel-Devel] weekend SMILES canonicalization errors Craig A. James
  • Re: [OpenBabel-Devel] weekend SMILES canonicalization errors Tim Vandermeersch
  • Re: [OpenBabel-Devel] weekend SMILES canonicalization errors Tim Vandermeersch
• [OpenBabel-Devel] [ openbabel-Bugs-3081093 ] Memory leak in AliasData::Expand() SourceForge.net
• [OpenBabel-Devel] Nabble openbabel forums Noel O'Boyle
  • Re: [OpenBabel-Devel] Nabble openbabel forums Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Nabble openbabel forums Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-File Format Support-3079799 ] Convert .pdbqt to .pdb SourceForge.net
• [OpenBabel-Devel] Cppcheck Errors Geoffrey Hutchison
• [OpenBabel-Devel] xtcformat warnings Noel O'Boyle
• [OpenBabel-Devel] Hiding warnings Noel O'Boyle
  • Re: [OpenBabel-Devel] Hiding warnings Chris Morley
  • Re: [OpenBabel-Devel] Hiding warnings Noel O'Boyle
• [OpenBabel-Devel] CDash emails - turn off please Noel O'Boyle
  • Re: [OpenBabel-Devel] CDash emails - turn off please Noel O'Boyle
• [OpenBabel-Devel] possible trojan ? TJ O'Donnell
  • Re: [OpenBabel-Devel] possible trojan ? Noel O'Boyle
  • Re: [OpenBabel-Devel] possible trojan ? TJ O'Donnell
  • Re: [OpenBabel-Devel] possible trojan ? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] possible trojan ? Andrew Dalke
• [OpenBabel-Devel] [ openbabel-Bugs-3078884 ] SMILES fails aromaticity SourceForge.net
• [OpenBabel-Devel] obspectrophore help text Noel O'Boyle
  • Re: [OpenBabel-Devel] obspectrophore help text Hans De Winter
• [OpenBabel-Devel] [ openbabel-Bugs-3077897 ] bus error SourceForge.net
• [OpenBabel-Devel] CMake problems Chris Morley
  • Re: [OpenBabel-Devel] CMake problems Noel O'Boyle
  • Re: [OpenBabel-Devel] CMake problems Chris Morley
  • Re: [OpenBabel-Devel] CMake problems Noel O'Boyle
  • Re: [OpenBabel-Devel] CMake problems Tim Vandermeersch
  • Re: [OpenBabel-Devel] CMake problems Chris Morley
• [OpenBabel-Devel] [ openbabel-Feature Requests-3076690 ] better perl bindings for rmsd calculations SourceForge.net
• [OpenBabel-Devel] Cis/trans stereochem with SMILES at ring closures Noel O'Boyle
  • Re: [OpenBabel-Devel] Cis/trans stereochem with SMILES at ring closures Craig A. James
  • Re: [OpenBabel-Devel] Cis/trans stereochem with SMILES at ring closures Noel O'Boyle
  • Re: [OpenBabel-Devel] Cis/trans stereochem with SMILES at ring closures Noel O'Boyle
• [OpenBabel-Devel] Fwd: FAILED (u=1): Open Babel - Ubuntu 9.04, GCC 4.4.1, 64bit - Continuous David Lonie
• [OpenBabel-Devel] [ openbabel-Bugs-3075068 ] Infinite loop in FindLSSR SourceForge.net
• [OpenBabel-Devel] [ openbabel-Bugs-3075065 ] Kekulize Error with aromatic Oxygen SourceForge.net
• [OpenBabel-Devel] [ openbabel-Bugs-3075063 ] Cis/Trans Canonical Error SourceForge.net
  • [OpenBabel-Devel] Fwd: [ openbabel-Bugs-3075063 ] Cis/Trans Canonical Error Noel O'Boyle
  • Re: [OpenBabel-Devel] Fwd: [ openbabel-Bugs-3075063 ] Cis/Trans Canonical Error Craig A. James
  • [OpenBabel-Devel] Bad canonicalization Craig A. James
  • Re: [OpenBabel-Devel] Bad canonicalization Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Bad canonicalization Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad canonicalization Craig A. James
• [OpenBabel-Devel] CDash continuous build Tim Vandermeersch
  • Re: [OpenBabel-Devel] CDash continuous build Geoffrey Hutchison
  • Re: [OpenBabel-Devel] CDash continuous build Tim Vandermeersch
  • Re: [OpenBabel-Devel] CDash continuous build Geoffrey Hutchison
  • Re: [OpenBabel-Devel] CDash continuous build Tim Vandermeersch
• [OpenBabel-Devel] Upgraded OpenBabel.org Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Upgraded OpenBabel.org Konstantin Tokarev
• [OpenBabel-Devel] Added OBAlign::GetRotMatrix() Noel O'Boyle
• [OpenBabel-Devel] How to suppress warnings from compiling Inchi code? Noel O'Boyle
  • Re: [OpenBabel-Devel] How to suppress warnings from compiling Inchi code? Geoffrey Hutchison
• [OpenBabel-Devel] Path-based fingerprint fragments Noel O'Boyle
  • Re: [OpenBabel-Devel] Path-based fingerprint fragments Chris Morley
  • Re: [OpenBabel-Devel] Path-based fingerprint fragments Noel O'Boyle
  • Re: [OpenBabel-Devel] Path-based fingerprint fragments Chris Morley
  • Re: [OpenBabel-Devel] Path-based fingerprint fragments Noel O'Boyle
  • Re: [OpenBabel-Devel] Path-based fingerprint fragments Björn Grüning
  • Re: [OpenBabel-Devel] Path-based fingerprint fragments Noel O'Boyle
• [OpenBabel-Devel] Square planar stereo centers Tim Vandermeersch
  • Re: [OpenBabel-Devel] Square planar stereo centers Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Square planar stereo centers Craig A. James
  • Re: [OpenBabel-Devel] Square planar stereo centers Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Square planar stereo centers Craig A. James
  • Re: [OpenBabel-Devel] Square planar stereo centers Andrew Dalke
• [OpenBabel-Devel] EBI automated build Noel O'Boyle
  • Re: [OpenBabel-Devel] EBI automated build Konstantin Tokarev
  • Re: [OpenBabel-Devel] EBI automated build Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Feature Requests-3073164 ] Publicly access the values of the gradients SourceForge.net
• [OpenBabel-Devel] Automorphisms & canonical coding performance Tim Vandermeersch
  • Re: [OpenBabel-Devel] Automorphisms & canonical coding performance Noel O'Boyle
  • Re: [OpenBabel-Devel] Automorphisms & canonical coding performance Noel O'Boyle
  • Re: [OpenBabel-Devel] Automorphisms & canonical coding performance Tim Vandermeersch
  • Re: [OpenBabel-Devel] Automorphisms & canonical coding performance Tim Vandermeersch
• [OpenBabel-Devel] Automated build test failures Noel O'Boyle
  • Re: [OpenBabel-Devel] Automated build test failures Tim Vandermeersch
• [OpenBabel-Devel] Build errors Noel O'Boyle
• [OpenBabel-Devel] Canonicalisation regression with isotopes Noel O'Boyle
  • Re: [OpenBabel-Devel] Canonicalisation regression with isotopes Tim Vandermeersch
• [OpenBabel-Devel] setlocale on android Igor Filippov
  • Re: [OpenBabel-Devel] setlocale on android Geoffrey Hutchison
  • Re: [OpenBabel-Devel] setlocale on android Igor Filippov
  • Re: [OpenBabel-Devel] setlocale on android Geoffrey Hutchison
  • Re: [OpenBabel-Devel] setlocale on android Igor Filippov
• [OpenBabel-Devel] Testing Windows 7, XP installs Noel O'Boyle
• [OpenBabel-Devel] OBConversion problem Gert Thijs
  • Re: [OpenBabel-Devel] OBConversion problem Noel O'Boyle
  • Re: [OpenBabel-Devel] OBConversion problem Gert Thijs
  • Re: [OpenBabel-Devel] OBConversion problem Gert Thijs
  • Re: [OpenBabel-Devel] OBConversion problem Gert Thijs
  • Re: [OpenBabel-Devel] OBConversion problem Geoffrey Hutchison
  • Re: [OpenBabel-Devel] OBConversion problem Gert Thijs
  • Re: [OpenBabel-Devel] OBConversion problem Gert Thijs
  • Re: [OpenBabel-Devel] OBConversion problem Tim Vandermeersch
  • Re: [OpenBabel-Devel] OBConversion problem Gert Thijs
  • Re: [OpenBabel-Devel] OBConversion problem Noel O'Boyle
  • Re: [OpenBabel-Devel] OBConversion problem Tim Vandermeersch
• [OpenBabel-Devel] [ openbabel-Bugs-3066755 ] Problem with SMARTS in phmodel.txt SourceForge.net
• [OpenBabel-Devel] Build warning Noel O'Boyle
  • Re: [OpenBabel-Devel] Build warning Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3065756 ] Creating SMARTS from SMILES/InChI's - depends on canonical S SourceForge.net
• [OpenBabel-Devel] Pharao: PHARmacophore Alignment and Optimization (open source) Hans De Winter
• [OpenBabel-Devel] [ openbabel-Bugs-3065234 ] SP and TB stereochemistry SourceForge.net
• [OpenBabel-Devel] Docs now on web Noel O'Boyle
• Re: [OpenBabel-Devel] [BlueObelisk-SMILES] software to use with SMILES and chirality Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [BlueObelisk-SMILES] software to use with SMILES and chirality Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [BlueObelisk-SMILES] software to use with SMILES and chirality Gonçalo C. Justino
  • Re: [OpenBabel-Devel] [BlueObelisk-SMILES] software to use with SMILES and chirality Tim Vandermeersch
• [OpenBabel-Devel] Molecular number Noel O'Boyle
  • Re: [OpenBabel-Devel] Molecular number Hans De Winter
• [OpenBabel-Devel] beta2 build issues Dominik 'Rathann' Mierzejewski
• [OpenBabel-Devel] [ openbabel-Bugs-3059516 ] can't build Perl/Python/Ruby language bindings SourceForge.net
• [OpenBabel-Devel] [ openbabel-Bugs-3059512 ] option to build against external libinchi SourceForge.net
• [OpenBabel-Devel] [ openbabel-Bugs-3058701 ] Segfault SMILES parsing of stereo at S SourceForge.net
• Re: [OpenBabel-Devel] sdf and smi that cause infinite loops, or at least way long processing times Noel O'Boyle
• [OpenBabel-Devel] New format for DL-POLY jens.thomas
  • Re: [OpenBabel-Devel] New format for DL-POLY Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3055559 ] Illegal SMILES accepted SourceForge.net
• [OpenBabel-Devel] Quick question about THANKS on wiki Noel O'Boyle
  • Re: [OpenBabel-Devel] Quick question about THANKS on wiki Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Quick question about THANKS on wiki Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3054241 ] Possible fix to problems reading zipped files on Windows SourceForge.net
• [OpenBabel-Devel] [ openbabel-Bugs-3053762 ] Iron Python problems with OBElementTable.GetName() SourceForge.net
• [OpenBabel-Devel] pytest_sym Geoffrey Hutchison
  • Re: [OpenBabel-Devel] pytest_sym Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3053430 ] ffmmff94 test fails under MSVC and on Kitware buildbot SourceForge.net
• [OpenBabel-Devel] [ openbabel-Bugs-3053429 ] Java bindings segfault on Linux SourceForge.net
• [OpenBabel-Devel] Trunk doesn't compile David Lonie
  • Re: [OpenBabel-Devel] Trunk doesn't compile Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Trunk doesn't compile David Lonie
  • Re: [OpenBabel-Devel] Trunk doesn't compile Noel O'Boyle
  • Re: [OpenBabel-Devel] Trunk doesn't compile David Lonie
  • Re: [OpenBabel-Devel] Trunk doesn't compile Konstantin Tokarev
  • Re: [OpenBabel-Devel] Trunk doesn't compile Noel O'Boyle
• [OpenBabel-Devel] Making wedge and hash bonds Chris Morley
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Tim Vandermeersch
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Igor Filippov
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Tim Vandermeersch
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Chris Morley
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Noel O'Boyle
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Noel O'Boyle
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Chris Morley
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Noel O'Boyle
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Craig A. James
  • Re: [OpenBabel-Devel] Making wedge and hash bonds Noel O'Boyle

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