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• • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Craig James
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Craig James
  • Re: [OpenBabel-Devel] Hydrogen/charge inconsistency? Craig James
• [OpenBabel-Devel] Molecular descriptor filter does not work properly baloo
  • Re: [OpenBabel-Devel] Molecular descriptor filter does not work properly Chris Morley
  • Re: [OpenBabel-Devel] Molecular descriptor filter does not work properly baloo
  • Re: [OpenBabel-Devel] Molecular descriptor filter does not work properly Chris Morley
• [OpenBabel-Devel] What's new in OB? Noel O'Boyle
  • Re: [OpenBabel-Devel] What's new in OB? David van der Spoel
  • Re: [OpenBabel-Devel] What's new in OB? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] What's new in OB? David van der Spoel
  • Re: [OpenBabel-Devel] What's new in OB? Reinis Danne
  • Re: [OpenBabel-Devel] What's new in OB? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] What's new in OB? Craig James
  • Re: [OpenBabel-Devel] What's new in OB? David van der Spoel
  • Re: [OpenBabel-Devel] What's new in OB? Craig James
  • Re: [OpenBabel-Devel] What's new in OB? Reinis Danne
  • Re: [OpenBabel-Devel] What's new in OB? Craig James
• [OpenBabel-Devel] OB at Fall ACS Indianapolis Noel O'Boyle
  • Re: [OpenBabel-Devel] OB at Fall ACS Indianapolis Geoffrey Hutchison
  • Re: [OpenBabel-Devel] OB at Fall ACS Indianapolis Noel O'Boyle
• [OpenBabel-Devel] segmentation fault david.lagorce
  • Re: [OpenBabel-Devel] segmentation fault Noel O'Boyle
  • Re: [OpenBabel-Devel] segmentation fault david.lagorce
  • Re: [OpenBabel-Devel] segmentation fault Noel O'Boyle
• [OpenBabel-Devel] GitHub Migration Geoffrey Hutchison
  • Re: [OpenBabel-Devel] GitHub Migration David Lonie
  • Re: [OpenBabel-Devel] GitHub Migration David van der Spoel
  • Re: [OpenBabel-Devel] GitHub Migration David Lonie
  • Re: [OpenBabel-Devel] GitHub Migration Marcus D. Hanwell
  • Re: [OpenBabel-Devel] GitHub Migration Geoffrey Hutchison
  • Re: [OpenBabel-Devel] GitHub Migration Richard West
  • Re: [OpenBabel-Devel] GitHub Migration Craig James
  • Re: [OpenBabel-Devel] GitHub Migration Chris Morley
  • Re: [OpenBabel-Devel] GitHub Migration Noel O'Boyle
• [OpenBabel-Devel] MMFF94s Is that a bug in OOP forces? thanasio
  • Re: [OpenBabel-Devel] MMFF94s Is that a bug in OOP forces? Geoffrey Hutchison
• [OpenBabel-Devel] Can we contribute code to contributed/trunk/java? Pudney Chris (ext) GBJH
  • Re: [OpenBabel-Devel] Can we contribute code to contributed/trunk/java? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Can we contribute code to contributed/trunk/java? Noel O'Boyle
  • Re: [OpenBabel-Devel] Can we contribute code to contributed/trunk/java? Pudney Chris (ext) GBJH
• [OpenBabel-Devel] obabel -h -- bug while adding hydrogens? David Lonie
  • Re: [OpenBabel-Devel] obabel -h -- bug while adding hydrogens? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] obabel -h -- bug while adding hydrogens? Chris Morley
  • Re: [OpenBabel-Devel] obabel -h -- bug while adding hydrogens? Marcus D. Hanwell
• [OpenBabel-Devel] Perceive bonds with obabel David Lonie
  • Re: [OpenBabel-Devel] Perceive bonds with obabel Noel O'Boyle
  • Re: [OpenBabel-Devel] Perceive bonds with obabel Noel O'Boyle
  • Re: [OpenBabel-Devel] Perceive bonds with obabel Noel O'Boyle
  • Re: [OpenBabel-Devel] Perceive bonds with obabel David Lonie
  • Re: [OpenBabel-Devel] Perceive bonds with obabel Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Perceive bonds with obabel Marcus D. Hanwell
• [OpenBabel-Devel] openbabel substurcture mounika
  • Re: [OpenBabel-Devel] openbabel substurcture Noel O'Boyle
  • [OpenBabel-Devel] openbabel substurcture mounika
  • Re: [OpenBabel-Devel] openbabel substurcture Noel O'Boyle
• [OpenBabel-Devel] Data not reflected on copied molecule andi
  • Re: [OpenBabel-Devel] Data not reflected on copied molecule Jean Bréfort
  • Re: [OpenBabel-Devel] Data not reflected on copied molecule Noel O'Boyle
  • Re: [OpenBabel-Devel] Data not reflected on copied molecule Dhroso, Andi (MU-Student)
• [OpenBabel-Devel] OBAlign from Perl script ganoud
  • Re: [OpenBabel-Devel] OBAlign from Perl script Noel O'Boyle
• [OpenBabel-Devel] Heuristic for selecting best forcefield? David Lonie
  • Re: [OpenBabel-Devel] Heuristic for selecting best forcefield? Tim Vandermeersch
  • Re: [OpenBabel-Devel] Heuristic for selecting best forcefield? David van der Spoel
  • Re: [OpenBabel-Devel] Heuristic for selecting best forcefield? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Heuristic for selecting best forcefield? David van der Spoel
  • Re: [OpenBabel-Devel] Heuristic for selecting best forcefield? David Lonie
  • Re: [OpenBabel-Devel] Heuristic for selecting best forcefield? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Heuristic for selecting best forcefield? David Lonie
• [OpenBabel-Devel] pH model Magnus Lundborg
• [OpenBabel-Devel] issues building openbabel when subclassing OBMol andi
  • [OpenBabel-Devel] issues building openbabel when subclassing OBMol Dhroso, Andi (MU-Student)
  • Re: [OpenBabel-Devel] issues building openbabel when subclassing OBMol Noel O'Boyle
  • Re: [OpenBabel-Devel] issues building openbabel when subclassing OBMol Dhroso, Andi (MU-Student)
• [OpenBabel-Devel] Bzip2 format support Kirill Okhotnikov
  • Re: [OpenBabel-Devel] Bzip2 format support David van der Spoel
  • Re: [OpenBabel-Devel] Bzip2 format support Ian Kirker
  • Re: [OpenBabel-Devel] Bzip2 format support Andrew Dalke
  • Re: [OpenBabel-Devel] Bzip2 format support Igor Filippov
  • Re: [OpenBabel-Devel] Bzip2 format support Chris Morley
• [OpenBabel-Devel] Cannot convert to MOL2 standard PDB ligand file Gaudreault, Francis
  • Re: [OpenBabel-Devel] Cannot convert to MOL2 standard PDB ligand file Noel O'Boyle
• [OpenBabel-Devel] add charge/mult input from gamout fulvio ciriaco
  • Re: [OpenBabel-Devel] add charge/mult input from gamout Chris Morley
  • Re: [OpenBabel-Devel] add charge/mult input from gamout fulvio ciriaco
  • Re: [OpenBabel-Devel] add charge/mult input from gamout Noel O'Boyle
  • Re: [OpenBabel-Devel] add charge/mult input from gamout fulvio ciriaco
  • Re: [OpenBabel-Devel] add charge/mult input from gamout Chris Morley
  • Re: [OpenBabel-Devel] abinit parsing fulvio ciriaco
  • Re: [OpenBabel-Devel] abinit parsing Geoffrey Hutchison
  • Re: [OpenBabel-Devel] abinit parsing fulvio ciriaco
• [OpenBabel-Devel] Kekulization and location of Hs Noel O'Boyle
  • Re: [OpenBabel-Devel] Kekulization and location of Hs Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Kekulization and location of Hs Noel O'Boyle
  • Re: [OpenBabel-Devel] Kekulization and location of Hs Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Kekulization and location of Hs Tim Vandermeersch
  • Re: [OpenBabel-Devel] Kekulization and location of Hs Chris Morley
  • Re: [OpenBabel-Devel] Kekulization and location of Hs Tim Vandermeersch
  • Re: [OpenBabel-Devel] Kekulization and location of Hs Noel O'Boyle
• [OpenBabel-Devel] Behaviour of OBMol &operator+= Noel O'Boyle
  • Re: [OpenBabel-Devel] Behaviour of OBMol &operator+= Geoffrey Hutchison
• [OpenBabel-Devel] mmff94 test fail Noel O'Boyle
  • Re: [OpenBabel-Devel] mmff94 test fail Geoffrey Hutchison
  • Re: [OpenBabel-Devel] mmff94 test fail David van der Spoel
  • Re: [OpenBabel-Devel] mmff94 test fail Noel O'Boyle
• [OpenBabel-Devel] reply-to list as default? David van der Spoel
  • Re: [OpenBabel-Devel] reply-to list as default? Noel O'Boyle
• [OpenBabel-Devel] Fwd: Re: failed tests in trunk David van der Spoel
• [OpenBabel-Devel] failed tests in trunk David van der Spoel
  • Re: [OpenBabel-Devel] failed tests in trunk Tim Vandermeersch
  • Re: [OpenBabel-Devel] failed tests in trunk Noel O'Boyle
• [OpenBabel-Devel] DNA image? Craig James
  • Re: [OpenBabel-Devel] [BlueObelisk-discuss] DNA image? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [BlueObelisk-discuss] DNA image? Peter Murray-Rust
• [OpenBabel-Devel] New SMILES parser format using Smiley parser Tim Vandermeersch
• [OpenBabel-Devel] Aromatic nitrogens and SMILES parsing Tim Vandermeersch
  • Re: [OpenBabel-Devel] Aromatic nitrogens and SMILES parsing Noel O'Boyle
  • Re: [OpenBabel-Devel] Aromatic nitrogens and SMILES parsing Geoff Hutchison
• [OpenBabel-Devel] Python compile failure on trunk with OBFreeGridPoint Noel O'Boyle
  • Re: [OpenBabel-Devel] Python compile failure on trunk with OBFreeGridPoint David van der Spoel
  • Re: [OpenBabel-Devel] Python compile failure on trunk with OBFreeGridPoint Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Python compile failure on trunk with OBFreeGridPoint David van der Spoel
• [OpenBabel-Devel] Gaussian coordinate reading David van der Spoel
  • Re: [OpenBabel-Devel] Gaussian coordinate reading Chris Morley
• [OpenBabel-Devel] Patch for Gaussian stuff uploaded. David van der Spoel
• [OpenBabel-Devel] convert obmol to inchi in C++ David van der Spoel
  • Re: [OpenBabel-Devel] convert obmol to inchi in C++ Chris Morley
  • Re: [OpenBabel-Devel] convert obmol to inchi in C++ David van der Spoel
  • Re: [OpenBabel-Devel] convert obmol to inchi in C++ Chris Morley
• [OpenBabel-Devel] OBGlobalDataBase David van der Spoel
  • Re: [OpenBabel-Devel] OBGlobalDataBase David van der Spoel
  • [OpenBabel-Devel] Extracting energy data from OBMol David van der Spoel
  • [OpenBabel-Devel] Quadrupole, ESP and more David van der Spoel
  • Re: [OpenBabel-Devel] Quadrupole, ESP and more Geoff Hutchison
  • Re: [OpenBabel-Devel] Quadrupole, ESP and more David van der Spoel
  • Re: [OpenBabel-Devel] Quadrupole, ESP and more Noel O'Boyle
  • Re: [OpenBabel-Devel] Quadrupole, ESP and more David van der Spoel
  • Re: [OpenBabel-Devel] Extracting energy data from OBMol Chris Morley
  • Re: [OpenBabel-Devel] Extracting energy data from OBMol David van der Spoel
  • Re: [OpenBabel-Devel] Extracting energy data from OBMol Geoff Hutchison
• [OpenBabel-Devel] Updates to the Gaussian reading for Thermochemistry David van der Spoel
  • Re: [OpenBabel-Devel] Updates to the Gaussian reading for Thermochemistry Geoff Hutchison
  • Re: [OpenBabel-Devel] Updates to the Gaussian reading for Thermochemistry David van der Spoel
  • Re: [OpenBabel-Devel] Updates to the Gaussian reading for Thermochemistry Chris Morley
  • Re: [OpenBabel-Devel] Updates to the Gaussian reading for Thermochemistry David van der Spoel
• [OpenBabel-Devel] OpenBabel 2.3.2 md5? Craig James
• [OpenBabel-Devel] [ openbabel-Bugs-3579272 ] perl bindings fail to configure in 2.3.2 SourceForge . net
• [OpenBabel-Devel] [ openbabel-Patches-3577928 ] Fix non-Darwin Makefile generation SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3577834 ] azides don`t get properly indexed or found SourceForge . net
• [OpenBabel-Devel] [RFC][PATCH] cmake: Enable to build bindings only Reinis Danne
  • Re: [OpenBabel-Devel] [RFC][PATCH] cmake: Enable to build bindings only Noel O'Boyle
  • Re: [OpenBabel-Devel] [RFC][PATCH] cmake: Enable to build bindings only Reinis Danne
  • Re: [OpenBabel-Devel] [RFC][PATCH] cmake: Enable to build bindings only Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [RFC][PATCH] cmake: Enable to build bindings only Reinis Danne
• [OpenBabel-Devel] [ openbabel-Bugs-3577236 ] out of tree build failure with python SourceForge . net
• [OpenBabel-Devel] openbabel.jar mounika
  • Re: [OpenBabel-Devel] openbabel.jar Randy Kunkee
• [OpenBabel-Devel] Error in caffein test structure? Reinis Danne
  • Re: [OpenBabel-Devel] Error in caffein test structure? Geoff Hutchison
  • Re: [OpenBabel-Devel] Error in caffein test structure? Reinis Danne
• [OpenBabel-Devel] [ openbabel-Patches-3574537 ] New lpmd-format SourceForge . net
• [OpenBabel-Devel] Getting 2.3.2 out the door Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Reinis Danne
  • Re: [OpenBabel-Devel] aromaticity detection problems in charged heterocycles (e.g. pyridinium) Paolo Tosco
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Noel O'Boyle
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Igor Filippov [Contr]
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Reinis Danne
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Git migration Reinis Danne
  • Re: [OpenBabel-Devel] Git migration Geoff Hutchison
  • Re: [OpenBabel-Devel] Git migration Reinis Danne
  • Re: [OpenBabel-Devel] Git migration Reinis Danne
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Reinis Danne
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Reinis Danne
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Noel O'Boyle
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Reinis Danne
  • Re: [OpenBabel-Devel] Getting 2.3.2 out the door Reinis Danne
• [OpenBabel-Devel] HAVE_EIGEN2 for Python bindings Reinis Danne
  • Re: [OpenBabel-Devel] HAVE_EIGEN2 for Python bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] HAVE_EIGEN2 for Python bindings Reinis Danne
  • Re: [OpenBabel-Devel] HAVE_EIGEN2 for Python bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] HAVE_EIGEN2 for Python bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] HAVE_EIGEN2 for Python bindings Reinis Danne
• [OpenBabel-Devel] [ openbabel-Bugs-3570039 ] babel segfaults using --gen3D SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3570014 ] babel segfaults on some input when --gen3D is used SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3569873 ] SVG with atom indices causes segfault SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3569548 ] gen3D fails on some molecules SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3568884 ] Segmentation fault when converting with java bindings SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3568854 ] JNI wrong and missing method signatures SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3568825 ] gen2D fails almost always in java SourceForge . net
• [OpenBabel-Devel] [ openbabel-File Format Support-3566057 ] tadacip cipla SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3565287 ] Use of OBPairTemplate causes linking error SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3565280 ] Crash reading G03 in beta symmetry pushback SourceForge . net
• [OpenBabel-Devel] Warnings in distgeom.cpp Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3564721 ] S(C)(C)C not correctly interpreted by SMILES reader SourceForge . net
• [OpenBabel-Devel] InChI library and Windows Marcus D. Hanwell
  • Re: [OpenBabel-Devel] InChI library and Windows Marcus D. Hanwell
  • Re: [OpenBabel-Devel] InChI library and Windows Marcus D. Hanwell

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