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• • Re: [OpenBabel-Devel] Fingerprint of molfile Marianne
• [OpenBabel-Devel] PDB residue assignment problem Noel O'Boyle
  • Re: [OpenBabel-Devel] PDB residue assignment problem Geoffrey Hutchison
  • Re: [OpenBabel-Devel] PDB residue assignment problem Noel O'Boyle
  • Re: [OpenBabel-Devel] PDB residue assignment problem Geoffrey Hutchison
  • Re: [OpenBabel-Devel] PDB residue assignment problem Geoff Hutchison
  • Re: [OpenBabel-Devel] PDB residue assignment problem Geoff Hutchison
  • Re: [OpenBabel-Devel] PDB residue assignment problem Noel O'Boyle
• Re: [OpenBabel-Devel] [ openbabel-Bugs-3453452 ] CIF format reader doesn't handle alternate origin choices Vincent Favre-Nicolin
  • Re: [OpenBabel-Devel] [ openbabel-Bugs-3453452 ] CIF format reader doesn't handle alternate origin choices Jean Bréfort
  • Re: [OpenBabel-Devel] [ openbabel-Bugs-3453452 ] CIF format reader doesn't handle alternate origin choices Vincent Favre-Nicolin
  • Re: [OpenBabel-Devel] [ openbabel-Bugs-3453452 ] CIF format reader doesn't handle alternate origin choices Jean Bréfort
• Re: [OpenBabel-Devel] Regression in MMFF94 Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Regression in MMFF94 Paolo Tosco
• [OpenBabel-Devel] Problems in OOP calculations 채종학
  • Re: [OpenBabel-Devel] Problems in OOP calculations Geoffrey Hutchison
• [OpenBabel-Devel] Binary serialization of OBMol objects Ernst-Georg Schmid
  • Re: [OpenBabel-Devel] Binary serialization of OBMol objects Tim Vandermeersch
  • Re: [OpenBabel-Devel] Binary serialization of OBMol objects Ernst-Georg Schmid
  • Re: [OpenBabel-Devel] Binary serialization of OBMol objects Jérôme Pansanel
  • Re: [OpenBabel-Devel] Binary serialization of OBMol objects Jérôme Pansanel
• [OpenBabel-Devel] [ openbabel-Bugs-3454303 ] obgrep R/S stereomatching wrong? SourceForge . net
• [OpenBabel-Devel] [PATCH] Inefficient idiom with STL empty() and size() roger
  • Re: [OpenBabel-Devel] [PATCH] Inefficient idiom with STL empty() and size() Geoff Hutchison
• [OpenBabel-Devel] [PATCH] Fix [#1v2] hydrogen valence calculation roger
  • Re: [OpenBabel-Devel] [PATCH] Fix [#1v2] hydrogen valence calculation Geoff Hutchison
• [OpenBabel-Devel] [ openbabel-Bugs-3453452 ] CIF format reader doesn't handle alternate origin choices SourceForge . net
• [OpenBabel-Devel] Simplying (and fixing) bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings Marcus D. Hanwell
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings My Th
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings My Th
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings Marcus D. Hanwell
  • Re: [OpenBabel-Devel] Simplying (and fixing) bindings Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Patches-3452697 ] fillUC: Wrap atoms in unit cell with some fuzziness SourceForge . net
• [OpenBabel-Devel] [ openbabel-Patches-3452482 ] Fix fillUC SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3452445 ] fillUC creates duplicate atoms SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3448379 ] SERINE residue incorrectly converted when last residue SourceForge . net
• [OpenBabel-Devel] Python bindings on MacOS X (again) Richard West
  • Re: [OpenBabel-Devel] Python bindings on MacOS X (again) Noel O'Boyle
• [OpenBabel-Devel] Relocatable openbabel installation / plugin path David Lonie
  • Re: [OpenBabel-Devel] Relocatable openbabel installation / plugin path Marcus D. Hanwell
  • Re: [OpenBabel-Devel] Relocatable openbabel installation / plugin path David Lonie
• [OpenBabel-Devel] Mailing list moderation and community building Noel O'Boyle
  • Re: [OpenBabel-Devel] Mailing list moderation and community building Geoff Hutchison
  • Re: [OpenBabel-Devel] Mailing list moderation and community building Craig A. James
  • Re: [OpenBabel-Devel] Mailing list moderation and community building Noel O'Boyle
  • Re: [OpenBabel-Devel] Mailing list moderation and community building Geoff Hutchison
• [OpenBabel-Devel] [ openbabel-Bugs-3436249 ] Man page version information is outdated SourceForge . net
• [OpenBabel-Devel] [ openbabel-Patches-3436235 ] VASP format output SourceForge . net
• [OpenBabel-Devel] Static compilation of plugins My Th
  • Re: [OpenBabel-Devel] Static compilation of plugins Chris Morley
  • Re: [OpenBabel-Devel] Static compilation of plugins My Th
• [OpenBabel-Devel] GetIdx vs GetId vs GetIndex David Lonie
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex David Lonie
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex My Th
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Geoffrey Hutchison
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex David Lonie
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Chris Morley
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex David Lonie
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Igor Filippov [Contr]
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Chris Morley
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Igor Filippov [Contr]
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex My Th
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Igor Filippov [Contr]
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex My Th
  • Re: [OpenBabel-Devel] Static Builds Geoff Hutchison
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Craig A. James
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex Tim Vandermeersch
  • Re: [OpenBabel-Devel] GetIdx vs GetId vs GetIndex David Lonie
• [OpenBabel-Devel] Smarts stereo support Noel O'Boyle
• [OpenBabel-Devel] Threading and OBForceField David Lonie
• [OpenBabel-Devel] [ openbabel-Bugs-3434544 ] error in similarity search SourceForge . net
• [OpenBabel-Devel] Tautomers Tim Vandermeersch
• [OpenBabel-Devel] [ openbabel-Bugs-3432431 ] perl bindings faild to compile on ppc64 SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3431239 ] Segmentation Fault FP4 SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3429339 ] -DBUILD_GUI=ON required installing libwxgtk2.8-dev SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3429323 ] -DBUILD_GUI=ON required installing libwxbase2.8-dev SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3428432 ] memory leak with evil SMILES SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3428428 ] incomplete check for @SP chiral class SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3428423 ] @TH class isn't supported SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3428027 ] incorrect treatment of aromatic with explicit bond SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3427739 ] Incorrect InChI to inchikey conversion SourceForge . net
• Re: [OpenBabel-Devel] cif reader and multimolecule files Vincent Favre-Nicolin
  • Re: [OpenBabel-Devel] cif reader and multimolecule files Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3426902 ] Incorrect InChI to inchikey conversion SourceForge . net
• [OpenBabel-Devel] Minor? problems building OpenBabel 2.3.1 with MinGW on Windows7 - Update Ernst-Georg Schmid
• [OpenBabel-Devel] Minor? problems building OpenBabel 2.3.1 with MinGW on Windows7 Ernst-Georg Schmid
  • Re: [OpenBabel-Devel] Minor? problems building OpenBabel 2.3.1 with MinGW on Windows7 Igor Filippov [Contr]
  • Re: [OpenBabel-Devel] Minor? problems building OpenBabel 2.3.1 with MinGW on Windows7 Ernst-Georg Schmid
• [OpenBabel-Devel] [ openbabel-Bugs-3426020 ] SMILES parser should fail with bad characters SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3425892 ] InChi ti InChiKey gives segmentation fault on 2.3.1 SourceForge . net
• [OpenBabel-Devel] convert from xyz to mol petercraugh
  • Re: [OpenBabel-Devel] convert from xyz to mol Geoff Hutchison
• [OpenBabel-Devel] [ openbabel-Bugs-3425216 ] define bond order as constant or introduce AddAromaticBond() SourceForge . net
• [OpenBabel-Devel] ANNOUNCE: Open Babel 2.3.1 Release Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [Open Babel] ANNOUNCE: Open Babel 2.3.1 Release Giovanni Cincilla
• [OpenBabel-Devel] [ openbabel-Patches-3424383 ] Fix a bunch of compiler warnings SourceForge . net
• [OpenBabel-Devel] [ openbabel-Patches-3424380 ] Don't overwrite plugin map pointers SourceForge . net
• [OpenBabel-Devel] [ openbabel-Patches-3424378 ] Decompact plugin.h macros for readability SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3423054 ] inconsistent fingerprint generation SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3423013 ] Non-tet stereo wrongly identified as tet center SourceForge . net
• Re: [OpenBabel-Devel] [Open Babel] problem with conversion from smi to fs followed by similarity search Noel O'Boyle
  • Re: [OpenBabel-Devel] [Open Babel] problem with conversion from smi to fs followed by similarity search Chris Mayne
  • Re: [OpenBabel-Devel] [Open Babel] problem with conversion from smi to fs followed by similarity search Noel O'Boyle
• [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() David Lonie
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() David Lonie
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() My Th
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() David Lonie
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() My Th
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() David Lonie
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() My Th
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() My Th
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() My Th
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() David Lonie
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() Chris Morley
  • Re: [OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance() My Th
• Re: [OpenBabel-Devel] [ openbabel-Bugs-3417992 ] MOPAC to MOL gives segmentation fault (fwd) Jiahao Chen
• [OpenBabel-Devel] Merging InChI 1.0.4 into 2.3.1 release? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Merging InChI 1.0.4 into 2.3.1 release? Chris Morley
• [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch Chris Morley
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch Geoff Hutchison
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch Chris Morley
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch Chris Morley
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch Chris Morley
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
  • Re: [OpenBabel-Devel] Plugin loading patch Craig A. James
  • Re: [OpenBabel-Devel] Plugin loading patch My Th
• Re: [OpenBabel-Devel] Some layout issues Noel O'Boyle
• [OpenBabel-Devel] Open Babel Paper Published in J Cheminf Geoffrey Hutchison
  • Re: [OpenBabel-Devel] [Open Babel] Open Babel Paper Published in J Cheminf Giovanni Cincilla
• Re: [OpenBabel-Devel] Other windows changes (Was: something else) Noel O'Boyle
• [OpenBabel-Devel] OBUnitCell not compiling in SWIG bindings Chris Morley
  • Re: [OpenBabel-Devel] OBUnitCell not compiling in SWIG bindings David Lonie
  • Re: [OpenBabel-Devel] OBUnitCell not compiling in SWIG bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] OBUnitCell not compiling in SWIG bindings Chris Morley
  • Re: [OpenBabel-Devel] OBUnitCell not compiling in SWIG bindings Noel O'Boyle
  • Re: [OpenBabel-Devel] OBUnitCell not compiling in SWIG bindings Chris Morley
• [OpenBabel-Devel] Target Date for 2.3.1 Release - Friday Oct 14th Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Target Date for 2.3.1 Release - Friday Oct 14th Dominik 'Rathann' Mierzejewski
• [OpenBabel-Devel] [ openbabel-Bugs-3417992 ] MOPAC to MOL gives segmentation fault SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3412189 ] wrong aromaticity? SourceForge . net
• [OpenBabel-Devel] [ openbabel-Bugs-3411738 ] ABI break in OBUnitCell class (trunk/r4401) SourceForge . net
• [OpenBabel-Devel] InChIKey as separate format? Noel O'Boyle
  • Re: [OpenBabel-Devel] InChIKey as separate format? Chris Morley
  • Re: [OpenBabel-Devel] InChIKey as separate format? Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Patches-3411037 ] Move plugin loading, load all plugins on first request SourceForge . net
• [OpenBabel-Devel] Sub-strucure search andi
  • Re: [OpenBabel-Devel] Sub-strucure search Geoff Hutchison
  • Re: [OpenBabel-Devel] Sub-strucure search andi
  • Re: [OpenBabel-Devel] Sub-strucure search Chris Morley
• [OpenBabel-Devel] Takanori 9303807 Oogaru は不在にしております。 ohgaru takanori
• [OpenBabel-Devel] Useful conversion features Noel O'Boyle
  • Re: [OpenBabel-Devel] Useful conversion features Chris Morley
  • Re: [OpenBabel-Devel] Useful conversion features Noel O'Boyle
  • Re: [OpenBabel-Devel] Useful conversion features Chris Morley
• [OpenBabel-Devel] [ openbabel-Bugs-3410220 ] 3D atom connectivity error in pdbqt SourceForge . net
• [OpenBabel-Devel] InChI Key filter? Geoffrey Hutchison
  • Re: [OpenBabel-Devel] InChI Key filter? Chris Morley
• [OpenBabel-Devel] [ openbabel-Patches-3409984 ] Check supplied internal coordinate vector SourceForge . net
• [OpenBabel-Devel] Patches in tracker and 2.3.1 My Th
  • Re: [OpenBabel-Devel] Patches in tracker and 2.3.1 Geoff Hutchison
  • Re: [OpenBabel-Devel] Patches in tracker and 2.3.1 My Th
  • Re: [OpenBabel-Devel] Patches in tracker and 2.3.1 Geoffrey Hutchison
• [OpenBabel-Devel] testsym.py Failure Geoffrey Hutchison
  • Re: [OpenBabel-Devel] testsym.py Failure Noel O'Boyle
• [OpenBabel-Devel] CDash Tests and 2.3.1 Geoffrey Hutchison
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Noel O'Boyle
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Geoffrey Hutchison
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Noel O'Boyle
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Geoffrey Hutchison
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Noel O'Boyle
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Michael Banck
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Noel O'Boyle
  • Re: [OpenBabel-Devel] CDash Tests and 2.3.1 Geoffrey Hutchison
• [OpenBabel-Devel] Fwd: [InChI-discuss] InChI for Proton and protonated hydrogen molecule Noel O'Boyle
• [OpenBabel-Devel] Procedure entry point GetSymmetry could not be located in openbabel-2.dll N David Brown
  • Re: [OpenBabel-Devel] Procedure entry point GetSymmetry could not be located in openbabel-2.dll N David Brown
  • Re: [OpenBabel-Devel] Procedure entry point GetSymmetry could not be located in openbabel-2.dll N David Brown
• [OpenBabel-Devel] WLN Noel O'Boyle
• [OpenBabel-Devel] [ openbabel-Bugs-3403862 ] Mishandling N+ implict Hcounts SourceForge . net
• [OpenBabel-Devel] cif import & using spg to check unit cell Vincent Favre-Nicolin
• [OpenBabel-Devel] Automap of reactions Marianne
  • Re: [OpenBabel-Devel] Automap of reactions Noel O'Boyle
  • Re: [OpenBabel-Devel] Automap of reactions Igor Filippov
  • Re: [OpenBabel-Devel] Automap of reactions Noel O'Boyle
  • Re: [OpenBabel-Devel] Automap of reactions Marianne
  • Re: [OpenBabel-Devel] Automap of reactions Gonzalo Hernandez
  • Re: [OpenBabel-Devel] Automap of reactions Noel O'Boyle
  • Re: [OpenBabel-Devel] Automap of reactions Gonzalo Hernandez
• Re: [OpenBabel-Devel] [Avogadro-Discuss] Gaussian Z matrices Geoff Hutchison

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