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• [OpenBabel-Devel] Refining openbabel's aromatic atom types ro...@nextmovesoftware.com
  • Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types ro...@nextmovesoftware.com
  • Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types Craig James
• [OpenBabel-Devel] OBMol::SetAngle code problem [c++] Nicholas.Browning
  • Re: [OpenBabel-Devel] OBMol::SetAngle code problem [c++] Nicholas.Browning
• [OpenBabel-Devel] PDB Conect changes missing Noel O'Boyle
  • Re: [OpenBabel-Devel] PDB Conect changes missing Geoffrey Hutchison
  • [OpenBabel-Devel] gaff.prm David van der Spoel
  • Re: [OpenBabel-Devel] gaff.prm Geoffrey Hutchison
• [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++) Browning Nicholas John
  • Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++) Nicholas.Browning
  • Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++) Noel O'Boyle
  • Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++) Nicholas.Browning
  • Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++) Chris Morley
  • Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++) Noel O'Boyle
  • Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++) Nicholas.Browning
• [OpenBabel-Devel] Templates not exported under MSVC Noel O'Boyle
  • Re: [OpenBabel-Devel] Templates not exported under MSVC Matt Swain
  • Re: [OpenBabel-Devel] Templates not exported under MSVC Noel O'Boyle
  • Re: [OpenBabel-Devel] Templates not exported under MSVC Noel O'Boyle
• [OpenBabel-Devel] Travis CI David Hall
  • Re: [OpenBabel-Devel] Travis CI Noel O'Boyle
  • Re: [OpenBabel-Devel] Travis CI Noel O'Boyle
  • Re: [OpenBabel-Devel] Travis CI Noel O'Boyle
  • Re: [OpenBabel-Devel] Travis CI David Hall
• [OpenBabel-Devel] Extending what is exported through the python interface Casper Steinmann
  • Re: [OpenBabel-Devel] Extending what is exported through the python interface Noel O'Boyle
  • Re: [OpenBabel-Devel] Extending what is exported through the python interface Casper Steinmann
  • Re: [OpenBabel-Devel] Extending what is exported through the python interface Noel O'Boyle
• [OpenBabel-Devel] Problem for compiling the example files Nicolas Cheron
  • Re: [OpenBabel-Devel] Problem for compiling the example files rafel israels
• Re: [OpenBabel-Devel] considering new SWIG binding for R Geoffrey Hutchison
  • Re: [OpenBabel-Devel] considering new SWIG binding for R Noel O'Boyle
  • Re: [OpenBabel-Devel] considering new SWIG binding for R Kevin Horan
• [OpenBabel-Devel] Tenure & Thanks Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [Avogadro-devel] Tenure & Thanks David Lonie
  • Re: [OpenBabel-Devel] Tenure & Thanks Noel O'Boyle
  • Re: [OpenBabel-Devel] Tenure & Thanks Chris Morley
  • Re: [OpenBabel-Devel] Tenure & Thanks Craig James
  • Re: [OpenBabel-Devel] [Avogadro-devel] Tenure & Thanks Marcus D. Hanwell
• [OpenBabel-Devel] CMake Python Changes David Hall
  • Re: [OpenBabel-Devel] CMake Python Changes Noel O'Boyle
  • Re: [OpenBabel-Devel] CMake Python Changes Noel O'Boyle
  • Re: [OpenBabel-Devel] CMake Python Changes Geoffrey Hutchison
  • Re: [OpenBabel-Devel] CMake Python Changes Reinis Danne
  • Re: [OpenBabel-Devel] CMake Python Changes Noel O'Boyle
  • Re: [OpenBabel-Devel] CMake Python Changes Reinis Danne
  • Re: [OpenBabel-Devel] CMake Python Changes Daniel Leidert
• [OpenBabel-Devel] nwchem (nwo) parsing bug fulvio ciriaco
  • Re: [OpenBabel-Devel] nwchem (nwo) parsing bug Michael Banck
  • Re: [OpenBabel-Devel] nwchem (nwo) parsing bug fulvio ciriaco
• [OpenBabel-Devel] Release strategy Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Release strategy Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Release strategy Craig James
  • Re: [OpenBabel-Devel] Release strategy Geoffrey Hutchison
• [OpenBabel-Devel] shared_ptr error while compiling master David Lonie
  • Re: [OpenBabel-Devel] shared_ptr error while compiling master Noel O'Boyle
  • Re: [OpenBabel-Devel] shared_ptr error while compiling master Noel O'Boyle
• [OpenBabel-Devel] Problem in C++ API while using the OBMol.Translate function prabram
• [OpenBabel-Devel] Disabled chirality in SMARTS? Craig James
  • Re: [OpenBabel-Devel] Disabled chirality in SMARTS? Noel O'Boyle
  • Re: [OpenBabel-Devel] Disabled chirality in SMARTS? Noel O'Boyle
  • Re: [OpenBabel-Devel] Disabled chirality in SMARTS? Geoffrey Hutchison
• [OpenBabel-Devel] Bug fixes contribution Kirill Okhotnikov
  • Re: [OpenBabel-Devel] Bug fixes contribution Geoffrey Hutchison
• [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Marcus D. Hanwell
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Noel O'Boyle
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Marcus D. Hanwell
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Noel O'Boyle
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Chris Morley
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Marcus D. Hanwell
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Marcus D. Hanwell
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Marcus D. Hanwell
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Noel O'Boyle
  • Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h Noel O'Boyle
• [OpenBabel-Devel] Testing... Craig James
  • Re: [OpenBabel-Devel] Testing... Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Testing... Noel O'Boyle
• [OpenBabel-Devel] Can't compile dev branch Craig James
  • Re: [OpenBabel-Devel] Can't compile dev branch Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Can't compile dev branch Craig James
• [OpenBabel-Devel] Corrupt memory problem Craig James
• [OpenBabel-Devel] highlight substructures with pybel David Lagorce
  • Re: [OpenBabel-Devel] highlight substructures with pybel Geoffrey Hutchison
  • Re: [OpenBabel-Devel] highlight substructures with pybel david.lagorce
  • Re: [OpenBabel-Devel] highlight substructures with pybel Noel O'Boyle
  • Re: [OpenBabel-Devel] highlight substructures with pybel david.lagorce
• [OpenBabel-Devel] Fwd: Data format changes for PDB entries containing large structures Geoffrey Hutchison
• [OpenBabel-Devel] [Fwd: Bug report on openbabel: obprobe crashes with exit status 139] Daniel Leidert
  • Re: [OpenBabel-Devel] [Fwd: Bug report on openbabel: obprobe crashes with exit status 139] Daniel Leidert
• [OpenBabel-Devel] mol2 atom type to mass conversion Francois Berenger
  • Re: [OpenBabel-Devel] mol2 atom type to mass conversion Geoffrey Hutchison
  • Re: [OpenBabel-Devel] mol2 atom type to mass conversion Francois Berenger
  • Re: [OpenBabel-Devel] mol2 atom type to mass conversion David Lonie
  • [OpenBabel-Devel] no openbabel bindings for OCaml? Francois Berenger
  • Re: [OpenBabel-Devel] no openbabel bindings for OCaml? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] no openbabel bindings for OCaml? Francois Berenger
• [OpenBabel-Devel] Simplex minimization Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Simplex minimization Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Simplex minimization Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Simplex minimization David Lonie
• [OpenBabel-Devel] InChI from obabel differs from direct C++ code Craig James
  • Re: [OpenBabel-Devel] InChI from obabel differs from direct C++ code Noel O'Boyle
  • [OpenBabel-Devel] InChI from obabel differs from direct C++ code Craig James
  • Re: [OpenBabel-Devel] InChI from obabel differs from direct C++ code Noel O'Boyle
  • Re: [OpenBabel-Devel] InChI from obabel differs from direct C++ code Craig James
• [OpenBabel-Devel] Coverity Scan Geoffrey Hutchison
• [OpenBabel-Devel] OpenBabel Perl doesn't work Craig James
  • Re: [OpenBabel-Devel] OpenBabel Perl doesn't work Noel O'Boyle
• [OpenBabel-Devel] Perl bindings Craig James
  • Re: [OpenBabel-Devel] Perl bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] Perl bindings Craig James
  • Re: [OpenBabel-Devel] Perl bindings Craig James
  • Re: [OpenBabel-Devel] Perl bindings Craig James
• [OpenBabel-Devel] Persistent OBConversion error message Craig James
  • Re: [OpenBabel-Devel] Persistent OBConversion error message Noel O'Boyle
  • Re: [OpenBabel-Devel] Persistent OBConversion error message Geoff Hutchison
• [OpenBabel-Devel] Hola Devs! Roscoe Casita
• Re: [OpenBabel-Devel] Reading and writing multiple conformers Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Reading and writing multiple conformers Chris Morley
• [OpenBabel-Devel] Better(?) test runner Noel O'Boyle
  • Re: [OpenBabel-Devel] Better(?) test runner Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Better(?) test runner Noel O'Boyle
• [OpenBabel-Devel] Partial charges Noel O'Boyle
  • Re: [OpenBabel-Devel] Partial charges Geoffrey Hutchison
• [OpenBabel-Devel] Proposal to deprecate babel Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to deprecate babel David van der Spoel
  • Re: [OpenBabel-Devel] Proposal to deprecate babel Craig James
  • Re: [OpenBabel-Devel] Proposal to deprecate babel Igor Filippov [Contr]
  • Re: [OpenBabel-Devel] Proposal to deprecate babel Chris Morley
• Re: [OpenBabel-Devel] bug in abinitformat.cpp David Lonie
  • Re: [OpenBabel-Devel] bug in abinitformat.cpp Cohen, Ron
  • Re: [OpenBabel-Devel] bug in abinitformat.cpp Cohen, Ron
  • Re: [OpenBabel-Devel] bug in abinitformat.cpp Cohen, Ron
  • Re: [OpenBabel-Devel] bug in abinitformat.cpp Cohen, Ron
  • Re: [OpenBabel-Devel] bug in abinitformat.cpp Cohen, Ron
  • Re: [OpenBabel-Devel] bug in abinitformat.cpp David Lonie
  • Re: [OpenBabel-Devel] bug in abinitformat.cpp David Lonie
• [OpenBabel-Devel] 'oping for help with confab Noel O'Boyle
  • Re: [OpenBabel-Devel] 'oping for help with confab Noel O'Boyle
  • Re: [OpenBabel-Devel] 'oping for help with confab Chris Morley
  • Re: [OpenBabel-Devel] 'oping for help with confab Noel O'Boyle
• [OpenBabel-Devel] statically linked openbabel with inchi Filippov, Igor (NIH/NLM/NCBI) [C]
• [OpenBabel-Devel] protonate molecule bizzare behaviour thanasio
  • Re: [OpenBabel-Devel] protonate molecule bizzare behaviour Geoffrey Hutchison
  • [OpenBabel-Devel] types.txt David van der Spoel
  • Re: [OpenBabel-Devel] types.txt David van der Spoel
  • Re: [OpenBabel-Devel] types.txt Geoffrey Hutchison
  • Re: [OpenBabel-Devel] types.txt David van der Spoel
  • Re: [OpenBabel-Devel] types.txt David van der Spoel
  • Re: [OpenBabel-Devel] types.txt Noel O'Boyle
  • Re: [OpenBabel-Devel] types.txt David van der Spoel
  • Re: [OpenBabel-Devel] types.txt Noel O'Boyle
  • Re: [OpenBabel-Devel] types.txt Geoffrey Hutchison
  • Re: [OpenBabel-Devel] types.txt David van der Spoel
  • Re: [OpenBabel-Devel] types.txt David van der Spoel
  • Re: [OpenBabel-Devel] types.txt Geoffrey Hutchison
  • Re: [OpenBabel-Devel] protonate molecule bizzare behaviour thanasio
• [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match Marcus D. Hanwell
  • Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match David van der Spoel
  • Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match Noel O'Boyle
  • Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match Marcus D. Hanwell
  • Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match Marcus D. Hanwell
  • Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match Noel O'Boyle
• [OpenBabel-Devel] Can't initialize OB internals from swig-generated module Craig James
  • Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module Noel O'Boyle
  • Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module Craig James
  • Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module Noel O'Boyle
  • Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module Craig James
• [OpenBabel-Devel] Another valence problem: [PH4+] vs [NH4+] Craig James
  • Re: [OpenBabel-Devel] Another valence problem: [PH4+] vs [NH4+] Geoffrey Hutchison
• [OpenBabel-Devel] Fwd: MDL Molfile Extensions in Open Babel? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] MDL Molfile Extensions in Open Babel? Matt Swain
• [OpenBabel-Devel] Wrong Craig James
  • Re: [OpenBabel-Devel] Wrong Noel O'Boyle
  • Re: [OpenBabel-Devel] Wrong Craig James
  • Re: [OpenBabel-Devel] Wrong Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Wrong Geoffrey Hutchison
• [OpenBabel-Devel] SMILES error on aromatic N? Craig James
  • Re: [OpenBabel-Devel] SMILES error on aromatic N? Chris Morley
  • Re: [OpenBabel-Devel] SMILES error on aromatic N? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] SMILES error on aromatic N? Craig James
  • Re: [OpenBabel-Devel] SMILES error on aromatic N? Chris Morley
  • Re: [OpenBabel-Devel] SMILES error on aromatic N? Craig James
• [OpenBabel-Devel] using openbabel in R Kevin Horan
  • Re: [OpenBabel-Devel] using openbabel in R Noel O'Boyle
  • Re: [OpenBabel-Devel] using openbabel in R Kevin Horan
  • Re: [OpenBabel-Devel] using openbabel in R Noel O'Boyle
  • Re: [OpenBabel-Devel] using openbabel in R Kevin Horan
• [OpenBabel-Devel] Hydrogen/charge inconsistency? Craig James
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Noel O'Boyle
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Noel O'Boyle
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Noel O'Boyle
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Craig James
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Craig James
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Noel O'Boyle
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Noel O'Boyle

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