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• • Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching Koes, David
  • Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching David van der Spoel
  • Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching Stefano Forli
  • Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching Geoffrey Hutchison
• [OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel Noel O'Boyle
  • Re: [OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel Mohammad Mehdi Ghahremanpour
• [OpenBabel-Devel] Invalidation of aromaticity flags Noel O'Boyle
  • Re: [OpenBabel-Devel] Invalidation of aromaticity flags Noel O'Boyle
• Re: [OpenBabel-Devel] [Open Babel] print UFF parameters Geoffrey Hutchison
• [OpenBabel-Devel] Getting SMILES Atom Order data Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Getting SMILES Atom Order data Noel O'Boyle
  • Re: [OpenBabel-Devel] Getting SMILES Atom Order data Naruki Yoshikawa
  • Re: [OpenBabel-Devel] Getting SMILES Atom Order data Noel O'Boyle
  • Re: [OpenBabel-Devel] Getting SMILES Atom Order data Craig James
• [OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation Naruki Yoshikawa
  • Re: [OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation Noel O'Boyle
  • Re: [OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation Stefano Forli
• [OpenBabel-Devel] Need for a stop-gap 2.4.2 release. Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Need for a stop-gap 2.4.2 release. Noel O'Boyle
  • Re: [OpenBabel-Devel] Need for a stop-gap 2.4.2 release. Michael Banck
• [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to require test cases David Hall
  • Re: [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to require test cases David Koes
  • Re: [OpenBabel-Devel] Proposal to require test cases David van der Spoel
  • Re: [OpenBabel-Devel] Proposal to require test cases Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Proposal to require test cases Dominik 'Rathann' Mierzejewski
  • Re: [OpenBabel-Devel] Proposal to require test cases Dominik 'Rathann' Mierzejewski
  • Re: [OpenBabel-Devel] Proposal to require test cases David van der Spoel
  • Re: [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to require test cases David van der Spoel
  • Re: [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to require test cases David Koes
  • Re: [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to require test cases Koes, David
  • Re: [OpenBabel-Devel] Proposal to require test cases Noel O'Boyle
• [OpenBabel-Devel] compilation error of developing version Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] compilation error of developing version Noel O'Boyle
  • Re: [OpenBabel-Devel] compilation error of developing version Mohammad Mehdi Ghahremanpour
• [OpenBabel-Devel] Different ADF Outputs Patrick Avery
  • Re: [OpenBabel-Devel] Different ADF Outputs Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Different ADF Outputs Patrick Avery
• [OpenBabel-Devel] OBResidue::GetNum() and negative sequence numbers Stefano Forli
• [OpenBabel-Devel] Proposal: Store reactions as annotated molecules Noel O'Boyle
• [OpenBabel-Devel] First pass at converting Open Babel wiki to Jekyll Geoffrey Hutchison
  • Re: [OpenBabel-Devel] First pass at converting Open Babel wiki to Jekyll Noel O'Boyle
  • Re: [OpenBabel-Devel] First pass at converting Open Babel wiki to Jekyll Geoffrey Hutchison
• [OpenBabel-Devel] OpenBabel applying for Google Summer of Code Geoffrey Hutchison
• Re: [OpenBabel-Devel] Release 3.0 Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Release 3.0 David Koes
  • Re: [OpenBabel-Devel] Release 3.0 Noel O'Boyle
  • Re: [OpenBabel-Devel] Release 3.0 Koes, David
  • Re: [OpenBabel-Devel] Release 3.0 Noel O'Boyle
  • Re: [OpenBabel-Devel] Release 3.0 Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Release 3.0 Stefano Forli
  • Re: [OpenBabel-Devel] Release 3.0 Geoffrey Hutchison
• [OpenBabel-Devel] OBStereo Geoffrey Hutchison
  • Re: [OpenBabel-Devel] OBStereo Geoffrey Hutchison
• [OpenBabel-Devel] Performance tests Noel O'Boyle
• [OpenBabel-Devel] 24PullRequests and "simple issues" Geoffrey Hutchison
• [OpenBabel-Devel] calculate descriptor of all molecules contained in .sdf file (pybel) tegar16216
• [OpenBabel-Devel] Migrating from MediaWiki Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Migrating from MediaWiki Noel O'Boyle
  • Re: [OpenBabel-Devel] [Open Babel] Migrating from MediaWiki Stefano Forli
• [OpenBabel-Devel] Version number on master Noel O'Boyle
  • Re: [OpenBabel-Devel] Version number on master Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Version number on master Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Version number on master Noel O'Boyle
• [OpenBabel-Devel] Support for OBReaction in Python Noel O'Boyle
• [OpenBabel-Devel] Append molecular formula and molecular weight to SMILES format list RicardoMBorges via OpenBabel-Devel
  • Re: [OpenBabel-Devel] Append molecular formula and molecular weight to SMILES format list Noel O'Boyle
  • Re: [OpenBabel-Devel] Append molecular formula and molecular weight to SMILES format list RicardoMBorges via OpenBabel-Devel
• [OpenBabel-Devel] Pybel versus PyBEL Noel O'Boyle
• [OpenBabel-Devel] Ring conformations from builder Stefano Forli
  • Re: [OpenBabel-Devel] Ring conformations from builder Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Ring conformations from builder Stefano Forli
  • Re: [OpenBabel-Devel] Ring conformations from builder Geoffrey Hutchison
• [OpenBabel-Devel] Reading multiple charge types from Gaussian output Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output Geoffrey Hutchison
• [OpenBabel-Devel] pull request for an old patch Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] pull request for an old patch Noel O'Boyle
  • Re: [OpenBabel-Devel] pull request for an old patch Noel O'Boyle
  • Re: [OpenBabel-Devel] pull request for an old patch Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] pull request for an old patch Noel O'Boyle
  • Re: [OpenBabel-Devel] pull request for an old patch Geoffrey Hutchison
  • Re: [OpenBabel-Devel] pull request for an old patch Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] pull request for an old patch Noel O'Boyle
  • Re: [OpenBabel-Devel] pull request for an old patch Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] pull request for an old patch Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] pull request for an old patch Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] pull request for an old patch Geoffrey Hutchison
  • Re: [OpenBabel-Devel] pull request for an old patch Mohammad Mehdi Ghahremanpour
• [OpenBabel-Devel] Isotope table Noel O'Boyle
  • Re: [OpenBabel-Devel] Isotope table Geoffrey Hutchison
• [OpenBabel-Devel] JSON parsing of elements Noel O'Boyle
  • Re: [OpenBabel-Devel] JSON parsing of elements Matt Swain
  • Re: [OpenBabel-Devel] JSON parsing of elements Noel O'Boyle
• [OpenBabel-Devel] Output of charge to sdf file or inchi David van der Spoel
  • Re: [OpenBabel-Devel] Output of charge to sdf file or inchi Geoffrey Hutchison
• [OpenBabel-Devel] Reading molecular coordinates in standard orientation Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Reading molecular coordinates in standard orientation David van der Spoel
• [OpenBabel-Devel] Explicit "implicit hydrogen" count and kekulisation now merged Noel O'Boyle
• [OpenBabel-Devel] Appveyor tests Noel O'Boyle
  • Re: [OpenBabel-Devel] Appveyor tests Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Appveyor tests Noel O'Boyle
  • Re: [OpenBabel-Devel] Appveyor tests Noel O'Boyle
  • Re: [OpenBabel-Devel] Appveyor tests Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Appveyor tests Noel O'Boyle
  • Re: [OpenBabel-Devel] Appveyor tests Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Appveyor tests Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Appveyor tests Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Appveyor tests Noel O'Boyle
  • Re: [OpenBabel-Devel] Appveyor tests Maciek Wójcikowski
• [OpenBabel-Devel] how to minimize molecular structure energy by AM1 forcefield Yalda
  • Re: [OpenBabel-Devel] how to minimize molecular structure energy by AM1 forcefield Noel O'Boyle
• [OpenBabel-Devel] Pybel and pip install problems Noel O'Boyle
  • Re: [OpenBabel-Devel] Pybel and pip install problems Geoffrey Hutchison
• [OpenBabel-Devel] GSoC project introduction - C.C. web repository Nitish Garg
  • Re: [OpenBabel-Devel] [Rdkit-devel] GSoC project introduction - C.C. web repository Brian Kelley
  • Re: [OpenBabel-Devel] [Rdkit-devel] GSoC project introduction - C.C. web repository Browning Nicholas John
  • Re: [OpenBabel-Devel] [Rdkit-devel] GSoC project introduction - C.C. web repository Geoffrey Hutchison
  • Re: [OpenBabel-Devel] GSoC project introduction - C.C. web repository Noel O'Boyle
  • Re: [OpenBabel-Devel] GSoC project introduction - C.C. web repository Nitish Garg
• [OpenBabel-Devel] FYI, Implicit hydrogens and kekulization branch Noel O'Boyle
  • Re: [OpenBabel-Devel] FYI, Implicit hydrogens and kekulization branch Noel O'Boyle
  • Re: [OpenBabel-Devel] FYI, Implicit hydrogens and kekulization branch Geoffrey Hutchison
• [OpenBabel-Devel] BEP: Proposal for removal of Kekule and Aromatic Bond Orders Noel O'Boyle
• [OpenBabel-Devel] Moving trackers from SF to GitHub Noel O'Boyle
• [OpenBabel-Devel] API/ABI changes review for OpenBabel Andrey Ponomarenko
  • Re: [OpenBabel-Devel] API/ABI changes review for OpenBabel Noel O'Boyle
• [OpenBabel-Devel] Mailing list change proposal Noel O'Boyle
  • Re: [OpenBabel-Devel] Mailing list change proposal Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Mailing list change proposal Stefano Forli
  • Re: [OpenBabel-Devel] Mailing list change proposal Geoffrey Hutchison
• [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms Noel O'Boyle
  • Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms Craig James
  • Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms Noel O'Boyle
  • Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms Andrew Dalke
  • Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms Noel O'Boyle
  • Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms Andrew Dalke
  • Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms Noel O'Boyle
• [OpenBabel-Devel] Convenience functions Noel O'Boyle
  • Re: [OpenBabel-Devel] Convenience functions Maciek Wójcikowski
  • Re: [OpenBabel-Devel] Convenience functions Stefano Forli
  • Re: [OpenBabel-Devel] Convenience functions Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Convenience functions Noel O'Boyle
  • Re: [OpenBabel-Devel] Convenience functions Stefano Forli
  • Re: [OpenBabel-Devel] Convenience functions Noel O'Boyle
  • Re: [OpenBabel-Devel] Convenience functions Noel O'Boyle
  • Re: [OpenBabel-Devel] Convenience functions Stefano Forli
  • Re: [OpenBabel-Devel] Convenience functions Noel O'Boyle
  • Re: [OpenBabel-Devel] Convenience functions Stefano Forli
  • Re: [OpenBabel-Devel] Convenience functions Noel O'Boyle
  • Re: [OpenBabel-Devel] Convenience functions Stefano Forli
• [OpenBabel-Devel] Proposal to overhaul/replace OBElementTable Noel O'Boyle
  • Re: [OpenBabel-Devel] Proposal to overhaul/replace OBElementTable Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Proposal to overhaul/replace OBElementTable David Hall
  • Re: [OpenBabel-Devel] Proposal to overhaul/replace OBElementTable Noel O'Boyle
• [OpenBabel-Devel] Proposal to remove all duplicated std::string versus const char* methods Noel O'Boyle
• [OpenBabel-Devel] Migrating bugs, features from SourceForge to GitHub Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Migrating bugs, features from SourceForge to GitHub Noel O'Boyle
• [OpenBabel-Devel] OBMol ctor error on OBDotNet JohniMichels
• [OpenBabel-Devel] How to get the list of integers from an ECFP4 fingerprint? Francois BERENGER
• [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Koes, David
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] Race conditions Noel O'Boyle
  • Re: [OpenBabel-Devel] API break (was Race conditions) Geoffrey Hutchison
  • Re: [OpenBabel-Devel] API break (was Race conditions) Noel O'Boyle
  • Re: [OpenBabel-Devel] API break (was Race conditions) Geoffrey Hutchison
• [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Noel O'Boyle
  • Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Noel O'Boyle
  • Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Noel O'Boyle
  • Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Noel O'Boyle
  • Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Geoffrey Hutchison
  • Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement Noel O'Boyle
• [OpenBabel-Devel] Compiling OpenBabel with gcc and g++ Mohammad Mehdi Ghahremanpour
  • Re: [OpenBabel-Devel] Compiling OpenBabel with gcc and g++ Noel O'Boyle
• [OpenBabel-Devel] FASTA File Joshua Barnett

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