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• • Re: [OpenBabel-Devel] Git migration? My Th
  • Re: [OpenBabel-Devel] Git migration? David Lonie
  • Re: [OpenBabel-Devel] Git migration? Craig James
  • Re: [OpenBabel-Devel] Git migration? David Lonie
  • Re: [OpenBabel-Devel] Git migration? Igor Filippov [Contr]
  • Re: [OpenBabel-Devel] Git migration? Rajarshi Guha
  • Re: [OpenBabel-Devel] Git migration? My Th
  • Re: [OpenBabel-Devel] Git migration? Noel O'Boyle
  • Re: [OpenBabel-Devel] Git migration? Craig James
  • Re: [OpenBabel-Devel] Git migration? Geoff Hutchison
  • Re: [OpenBabel-Devel] Git migration? My Th
  • Re: [OpenBabel-Devel] Git migration? Geoff Hutchison
  • [OpenBabel-Devel] 2.3.2 release - Was Git migration? Chris Morley
  • Re: [OpenBabel-Devel] 2.3.2 release - Was Git migration? Geoff Hutchison
  • Re: [OpenBabel-Devel] Upcoming Release & Git migration? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Upcoming Release & Git migration? Craig James
  • Re: [OpenBabel-Devel] Git migration? My Th
  • Re: [OpenBabel-Devel] Git migration? David Lonie
  • Re: [OpenBabel-Devel] Git migration? My Th
  • Re: [OpenBabel-Devel] Git migration? Craig James
• [OpenBabel-Devel] Experimenal branch and project 3.0 My Th
  • Re: [OpenBabel-Devel] Experimenal branch and project 3.0 Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Experimenal branch and project 3.0 My Th
  • Re: [OpenBabel-Devel] Patch queue, spring cleaning My Th
• [OpenBabel-Devel] SMILES, rings and implicit cis double bonds Noel O'Boyle
  • Re: [OpenBabel-Devel] SMILES, rings and implicit cis double bonds Craig James
• [OpenBabel-Devel] [ openbabel-Patches-3526485 ] Silence another set of compiler warnings SourceForge . net
• [OpenBabel-Devel] Compiler warnings with gcc 4.6 My Th
• [OpenBabel-Devel] [ openbabel-Bugs-3526150 ] genbankformat: Undefined ReadFASTASequence SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3526145 ] Multiple definition of OpenBabel::areDuplicateAtoms SourceForge . net
• [OpenBabel-Devel] [ openbabel-Patches-3526035 ] Update for gro format SourceForge . net
• [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Craig James
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Craig James
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Craig James
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Craig James
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Noel O'Boyle
  • Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x Craig James
• [OpenBabel-Devel] xyz coordinates scrambled up newamaichha
• [OpenBabel-Devel] make test - lots of crashes Craig James
  • Re: [OpenBabel-Devel] make test - lots of crashes Geoff Hutchison
  • Re: [OpenBabel-Devel] make test - lots of crashes Craig James
  • Re: [OpenBabel-Devel] make test - lots of crashes Noel O'Boyle
  • Re: [OpenBabel-Devel] make test - lots of crashes Noel O'Boyle
• [OpenBabel-Devel] invalid .sdf output from obgen in svn 4747; also wrong chiralities Thomas Womack
  • Re: [OpenBabel-Devel] invalid .sdf output from obgen in svn 4747; also wrong chiralities Noel O'Boyle
  • Re: [OpenBabel-Devel] invalid .sdf output from obgen in svn 4747; also wrong chiralities Geoff Hutchison
• [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 David Lonie
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 Craig James
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 David Lonie
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 Craig James
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 David Lonie
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 Noel O'Boyle
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 David Lonie
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 David Lonie
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 Noel O'Boyle
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 David Lonie
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 Chris Morley
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 David Lonie
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 Chris Morley
  • Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010 thanasio
• [OpenBabel-Devel] Crash on ring iterator Craig James
  • Re: [OpenBabel-Devel] Crash on ring iterator Igor Filippov
  • Re: [OpenBabel-Devel] Crash on ring iterator Craig James
  • Re: [OpenBabel-Devel] Crash on ring iterator Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Crash on ring iterator Craig James
  • Re: [OpenBabel-Devel] Crash on ring iterator Craig James
  • Re: [OpenBabel-Devel] Crash on ring iterator Igor Filippov
• [OpenBabel-Devel] change to canon.cpp Craig James
  • Re: [OpenBabel-Devel] change to canon.cpp Noel O'Boyle
  • Re: [OpenBabel-Devel] change to canon.cpp Craig James
• [OpenBabel-Devel] C/C++ linker problem? Craig James
• [OpenBabel-Devel] OBConformerSearch undefined references, missing vtable David Lonie
  • Re: [OpenBabel-Devel] OBConformerSearch undefined references, missing vtable Noel O'Boyle
  • Re: [OpenBabel-Devel] OBConformerSearch undefined references, missing vtable David Lonie
  • Re: [OpenBabel-Devel] OBConformerSearch undefined references, missing vtable Geoff Hutchison
  • Re: [OpenBabel-Devel] [Avogadro-devel] OBConformerSearch undefined references, missing vtable Marcus D. Hanwell
• [OpenBabel-Devel] Python bindings now returning long instead of int? Richard West
  • Re: [OpenBabel-Devel] Python bindings now returning long instead of int? Geoff Hutchison
  • Re: [OpenBabel-Devel] Python bindings now returning long instead of int? Noel O'Boyle
  • Re: [OpenBabel-Devel] Python bindings now returning long instead of int? Richard West
  • Re: [OpenBabel-Devel] Python bindings now returning long instead of int? Geoffrey Hutchison
• [OpenBabel-Devel] [ openbabel-Bugs-3521611 ] Handling two stereobonds at a tet center SourceForge . net
• [OpenBabel-Devel] Tautomerization issue Jörg Kurt Wegner
  • [OpenBabel-Devel] Tautomerization issue Jörg Kurt Wegner
  • Re: [OpenBabel-Devel] Tautomerization issue Craig James
• Re: [OpenBabel-Devel] [Open Babel] problem with aromaticity Noel O'Boyle
• [OpenBabel-Devel] Forcefield optimizer tests David Lonie
  • Re: [OpenBabel-Devel] Forcefield optimizer tests Geoffrey Hutchison
• [OpenBabel-Devel] New depictions: ASCII and commands Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3516413 ] Some OpenBabel-generated mol files won't be read by RDkit SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3514243 ] Canonical SMILES radicals whose parent molecule is aromatic SourceForge . net
• Re: [OpenBabel-Devel] [ openbabel-Bugs-3513220 ] Depiction should render unknown dbl bond stereo Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3513745 ] Too large font for "+." symbols SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3513284 ] Canon failure for very simple case of two ions SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3513220 ] Depiction should render unknown dbl bond stereo SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3511528 ] Smarts problem SourceForge . net
• [OpenBabel-Devel] Bugs and svn log messages Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Feature Requests-3509301 ] Non-zero exit code on error SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3508648 ] Openbabel segmentation fault on a large file SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3505126 ] genalias mishandles the charge separated form of -NO2 SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3505116 ] genalias does not remove hydrogens in the aliased group SourceForge . net
• Re: [OpenBabel-Devel] [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) David Lonie
  • Re: [OpenBabel-Devel] [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) Jean Bréfort
  • Re: [OpenBabel-Devel] [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) Jean Brefort
  • Re: [OpenBabel-Devel] [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) David Lonie
  • Re: [OpenBabel-Devel] [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) Jean Bréfort
• [OpenBabel-Devel] Error in converting Smiles and a crash in FP4 generation Björn Grüning
  • Re: [OpenBabel-Devel] Error in converting Smiles and a crash in FP4 generation Noel O'Boyle
  • Re: [OpenBabel-Devel] Error in converting Smiles and a crash in FP4 generation Björn Grüning
• [OpenBabel-Devel] [ openbabel-Bugs-3498131 ] Wrong valence for Radicals SourceForge . net
• [OpenBabel-Devel] --highlight Noel O'Boyle
  • [OpenBabel-Devel] --highlight christophersw...@btconnect.com
• [OpenBabel-Devel] Playing with SVG Noel O'Boyle
  • Re: [OpenBabel-Devel] Playing with SVG Chris Morley
• [OpenBabel-Devel] License for data files Noel O'Boyle
  • Re: [OpenBabel-Devel] License for data files Craig James
  • Re: [OpenBabel-Devel] License for data files Noel O'Boyle
  • Re: [OpenBabel-Devel] License for data files Geoff Hutchison
  • Re: [OpenBabel-Devel] License for data files Craig James
• [OpenBabel-Devel] [ openbabel-Bugs-3496072 ] Smarts and group additivity issue SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3495959 ] Ruby Makefile doesn't generate property SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3495545 ] -ig03 does not handle logfiles with nosym keyword SourceForge . net
• [OpenBabel-Devel] Aligning Noel O'Boyle
  • Re: [OpenBabel-Devel] Aligning Chris Morley
  • Re: [OpenBabel-Devel] Aligning Noel O'Boyle
• [OpenBabel-Devel] Torsions for MMFF94s thanasio
  • Re: [OpenBabel-Devel] Torsions for MMFF94s Geoffrey Hutchison
• [OpenBabel-Devel] What about adding AddNonPolarH, DelPolarH, DelNonPolarH? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] What about adding AddNonPolarH, DelPolarH, DelNonPolarH? Paolo Tosco
• [OpenBabel-Devel] accessing stereochemistry information in Python Gonzalo Hernandez
  • Re: [OpenBabel-Devel] accessing stereochemistry information in Python Noel O'Boyle
• [OpenBabel-Devel] Tautomerism Noel O'Boyle
  • Re: [OpenBabel-Devel] Tautomerism Tim Vandermeersch
  • Re: [OpenBabel-Devel] Tautomerism Noel O'Boyle
• [OpenBabel-Devel] printing special molecules kc
  • Re: [OpenBabel-Devel] printing special molecules Chris Morley
• [OpenBabel-Devel] Force calculation based question thanasio
  • Re: [OpenBabel-Devel] Force calculation based question thanasio
• Re: [OpenBabel-Devel] CDX-and chirality(Sept 2007 last post) Geoff Hutchison
  • Re: [OpenBabel-Devel] CDX-and chirality(Sept 2007 last post) Noel O'Boyle
  • Re: [OpenBabel-Devel] CDX-and chirality(Sept 2007 last post) Danni L Harris
• [OpenBabel-Devel] Turbomole Format Reader Questions Ian Kirker
  • Re: [OpenBabel-Devel] Turbomole Format Reader Questions Chris Morley
  • Re: [OpenBabel-Devel] Turbomole Format Reader Questions David Lonie
  • Re: [OpenBabel-Devel] Turbomole Format Reader Questions Ian Kirker
• [OpenBabel-Devel] [ openbabel-Bugs-3481605 ] Splitting file to generate multiple PNGs doesn't work SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3481603 ] Missing stereo when expanding alias SourceForge . net
• [OpenBabel-Devel] CDash londinium.kitware failing tautomer test My Th
  • Re: [OpenBabel-Devel] CDash londinium.kitware failing tautomer test Geoff Hutchison
  • Re: [OpenBabel-Devel] CDash londinium.kitware failing tautomer test Marcus D. Hanwell
• [OpenBabel-Devel] Reading actual CIF atom labels from OBMol N David Brown
  • Re: [OpenBabel-Devel] Reading actual CIF atom labels from OBMol Vincent Favre-Nicolin
  • Re: [OpenBabel-Devel] Reading actual CIF atom labels from OBMol N David Brown
  • Re: [OpenBabel-Devel] Reading actual CIF atom labels from OBMol Vincent Favre-Nicolin
  • Re: [OpenBabel-Devel] Reading actual CIF atom labels from OBMol N David Brown
  • Re: [OpenBabel-Devel] Reading actual CIF atom labels from OBMol Vincent Favre-Nicolin
  • Re: [OpenBabel-Devel] Reading actual CIF atom labels from OBMol N David Brown
• [OpenBabel-Devel] [ openbabel-File Format Support-3470246 ] Support for ACDlabs .sk2 file format SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3469904 ] HBA1 descriptor calculation goes crazy, but only sometimes SourceForge . net
• [OpenBabel-Devel] Missing ops/opsplit.cpp Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Missing ops/opsplit.cpp Chris Morley
• [OpenBabel-Devel] Splitting multimolecule files Chris Morley
• [OpenBabel-Devel] mutate residue (contd. from openbabel-discuss) Prashanth Athri
• [OpenBabel-Devel] OBFF default line search David Lonie
  • Re: [OpenBabel-Devel] OBFF default line search Noel O'Boyle
  • Re: [OpenBabel-Devel] OBFF default line search David Lonie
  • Re: [OpenBabel-Devel] OBFF default line search Geoffrey Hutchison
  • Re: [OpenBabel-Devel] OBFF default line search David Lonie
  • Re: [OpenBabel-Devel] OBFF default line search Jiahao Chen
  • Re: [OpenBabel-Devel] OBFF default line search David Lonie
• Re: [OpenBabel-Devel] Question about memcpy call in OBForceField::ConjugateGradientsTakeNSteps Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Question about memcpy call in OBForceField::ConjugateGradientsTakeNSteps David Lonie
  • Re: [OpenBabel-Devel] Question about memcpy call in OBForceField::ConjugateGradientsTakeNSteps Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Question about memcpy call in OBForceField::ConjugateGradientsTakeNSteps David Lonie
  • Re: [OpenBabel-Devel] Question about memcpy call in OBForceField::ConjugateGradientsTakeNSteps David Lonie
  • Re: [OpenBabel-Devel] Question about memcpy call in OBForceField::ConjugateGradientsTakeNSteps Geoff Hutchison
• [OpenBabel-Devel] MolCore beginnings David Lonie
• [OpenBabel-Devel] Open Babel: 10 Years and Future Directions Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Open Babel: 10 Years and Future Directions Marcus D. Hanwell
  • Re: [OpenBabel-Devel] [Open Babel] Open Babel: 10 Years and Future Directions My Th
  • Re: [OpenBabel-Devel] [Open Babel] Open Babel: 10 Years and Future Directions Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [Open Babel] Open Babel: 10 Years and Future Directions My Th
  • Re: [OpenBabel-Devel] [Open Babel] Open Babel: 10 Years and Future Directions Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [Open Babel] Open Babel: 10 Years and Future Directions My Th
• [OpenBabel-Devel] Storing conformers David Lonie
  • Re: [OpenBabel-Devel] Storing conformers David Lonie
  • Re: [OpenBabel-Devel] Storing conformers Craig A. James
  • Re: [OpenBabel-Devel] Storing conformers David Lonie
  • Re: [OpenBabel-Devel] Storing conformers Geoffrey Hutchison
• [OpenBabel-Devel] Fingerprint of molfile Marianne Seijo
  • Re: [OpenBabel-Devel] Fingerprint of molfile Noel O'Boyle
  • Re: [OpenBabel-Devel] Fingerprint of molfile Marianne Seijo
  • Re: [OpenBabel-Devel] Fingerprint of molfile Noel O'Boyle

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