Messages by Date
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2018/06/28
[OpenBabel-Devel] does OpenBabel support HIPEigen?
Eugen Leitl
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2018/06/22
Re: [OpenBabel-Devel] [Open Babel] Error on installing openbabel-2.4.1
Noel O'Boyle
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2018/06/19
Re: [OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel
Mohammad Mehdi Ghahremanpour
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2018/06/15
Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching
Geoffrey Hutchison
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2018/06/15
Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching
Stefano Forli
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2018/06/14
Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching
David van der Spoel
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2018/06/14
Re: [OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching
Koes, David
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2018/06/14
Re: [OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel
Geoffrey Hutchison
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2018/06/14
[OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching
Geoffrey Hutchison
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2018/06/14
Re: [OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel
Noel O'Boyle
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2018/06/14
[OpenBabel-Devel] Implementation of s-type Slater orbitals in open babel
Mohammad Mehdi Ghahremanpour
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2018/06/13
Re: [OpenBabel-Devel] Invalidation of aromaticity flags
Noel O'Boyle
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2018/06/13
[OpenBabel-Devel] Invalidation of aromaticity flags
Noel O'Boyle
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2018/06/12
Re: [OpenBabel-Devel] InChI Software version 1.05
Geoffrey Hutchison
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2018/06/08
Re: [OpenBabel-Devel] InChI Software version 1.05
Noel O'Boyle
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2018/06/07
Re: [OpenBabel-Devel] InChI Software version 1.05
Matthew Swain
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2018/06/06
Re: [OpenBabel-Devel] InChI Software version 1.05
Geoffrey Hutchison
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2018/06/06
Re: [OpenBabel-Devel] Fwd: InChI Software version 1.05
Michael Banck
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2018/05/21
Re: [OpenBabel-Devel] [Open Babel] print UFF parameters
Geoffrey Hutchison
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2018/05/21
Re: [OpenBabel-Devel] Getting SMILES Atom Order data
Craig James
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2018/05/21
Re: [OpenBabel-Devel] Getting SMILES Atom Order data
Noel O'Boyle
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2018/05/21
Re: [OpenBabel-Devel] Getting SMILES Atom Order data
Naruki Yoshikawa
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2018/05/17
Re: [OpenBabel-Devel] Getting SMILES Atom Order data
Noel O'Boyle
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2018/05/17
[OpenBabel-Devel] Getting SMILES Atom Order data
Geoffrey Hutchison
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2018/05/06
Re: [OpenBabel-Devel] Need for a stop-gap 2.4.2 release.
Noel O'Boyle
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2018/04/27
Re: [OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/04/26
Re: [OpenBabel-Devel] Proposal to require test cases
Koes, David
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2018/04/25
Re: [OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/04/25
Re: [OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation
Stefano Forli
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2018/04/25
Re: [OpenBabel-Devel] Proposal to require test cases
David Koes
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2018/04/25
Re: [OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation
Noel O'Boyle
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2018/04/25
[OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation
Naruki Yoshikawa
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2018/04/24
Re: [OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/04/24
Re: [OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/04/20
[OpenBabel-Devel] Need for a stop-gap 2.4.2 release.
Geoffrey Hutchison
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
David van der Spoel
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
David van der Spoel
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
Dominik 'Rathann' Mierzejewski
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
Dominik 'Rathann' Mierzejewski
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
Geoffrey Hutchison
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
David van der Spoel
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2018/04/16
Re: [OpenBabel-Devel] Proposal to require test cases
David Koes
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2018/04/15
Re: [OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/04/03
Re: [OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/04/03
Re: [OpenBabel-Devel] Proposal to require test cases
David Hall
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2018/04/03
[OpenBabel-Devel] Proposal to require test cases
Noel O'Boyle
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2018/03/21
Re: [OpenBabel-Devel] compilation error of developing version
Mohammad Mehdi Ghahremanpour
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2018/03/20
Re: [OpenBabel-Devel] compilation error of developing version
Noel O'Boyle
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2018/03/20
[OpenBabel-Devel] compilation error of developing version
Mohammad Mehdi Ghahremanpour
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2018/03/09
Re: [OpenBabel-Devel] Different ADF Outputs
Patrick Avery
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2018/03/08
Re: [OpenBabel-Devel] Different ADF Outputs
Geoffrey Hutchison
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2018/03/08
[OpenBabel-Devel] Different ADF Outputs
Patrick Avery
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2018/03/05
[OpenBabel-Devel] OBResidue::GetNum() and negative sequence numbers
Stefano Forli
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2018/02/18
[OpenBabel-Devel] Proposal: Store reactions as annotated molecules
Noel O'Boyle
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2018/02/11
Re: [OpenBabel-Devel] First pass at converting Open Babel wiki to Jekyll
Geoffrey Hutchison
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2018/02/10
Re: [OpenBabel-Devel] First pass at converting Open Babel wiki to Jekyll
Noel O'Boyle
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2018/02/09
[OpenBabel-Devel] First pass at converting Open Babel wiki to Jekyll
Geoffrey Hutchison
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2018/01/18
Re: [OpenBabel-Devel] Release 3.0
Geoffrey Hutchison
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2018/01/18
Re: [OpenBabel-Devel] Release 3.0
Stefano Forli
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2018/01/18
[OpenBabel-Devel] OpenBabel applying for Google Summer of Code
Geoffrey Hutchison
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2018/01/12
Re: [OpenBabel-Devel] Release 3.0
Geoffrey Hutchison
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2018/01/12
Re: [OpenBabel-Devel] Release 3.0
Noel O'Boyle
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2018/01/12
Re: [OpenBabel-Devel] Release 3.0
Koes, David
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2018/01/12
Re: [OpenBabel-Devel] Release 3.0
Noel O'Boyle
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2018/01/11
Re: [OpenBabel-Devel] Release 3.0
David Koes
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2018/01/09
Re: [OpenBabel-Devel] Release 3.0
Geoffrey Hutchison
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2018/01/06
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Mohammad Mehdi Ghahremanpour
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2018/01/02
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Geoffrey Hutchison
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2017/12/30
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Mohammad Mehdi Ghahremanpour
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2017/12/30
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Geoffrey Hutchison
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2017/12/27
Re: [OpenBabel-Devel] OBStereo
Geoffrey Hutchison
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2017/12/27
[OpenBabel-Devel] OBStereo
Geoffrey Hutchison
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2017/12/17
[OpenBabel-Devel] Performance tests
Noel O'Boyle
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2017/12/04
[OpenBabel-Devel] 24PullRequests and "simple issues"
Geoffrey Hutchison
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2017/11/15
[OpenBabel-Devel] calculate descriptor of all molecules contained in .sdf file (pybel)
tegar16216
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2017/10/25
Re: [OpenBabel-Devel] [Open Babel] Migrating from MediaWiki
Stefano Forli
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2017/10/24
Re: [OpenBabel-Devel] Migrating from MediaWiki
Noel O'Boyle
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2017/10/24
[OpenBabel-Devel] Migrating from MediaWiki
Geoffrey Hutchison
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2017/10/09
Re: [OpenBabel-Devel] Version number on master
Noel O'Boyle
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2017/10/09
Re: [OpenBabel-Devel] Version number on master
Geoffrey Hutchison
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2017/10/07
Re: [OpenBabel-Devel] Version number on master
Maciek Wójcikowski
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2017/10/06
[OpenBabel-Devel] Version number on master
Noel O'Boyle
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2017/09/20
[OpenBabel-Devel] Support for OBReaction in Python
Noel O'Boyle
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2017/09/05
Re: [OpenBabel-Devel] Append molecular formula and molecular weight to SMILES format list
RicardoMBorges via OpenBabel-Devel
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2017/08/23
Re: [OpenBabel-Devel] GSoC project introduction - C.C. web repository
Nitish Garg
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2017/08/18
Re: [OpenBabel-Devel] Append molecular formula and molecular weight to SMILES format list
Noel O'Boyle
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2017/08/17
[OpenBabel-Devel] Append molecular formula and molecular weight to SMILES format list
RicardoMBorges via OpenBabel-Devel
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2017/08/08
[OpenBabel-Devel] Pybel versus PyBEL
Noel O'Boyle
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2017/07/27
Re: [OpenBabel-Devel] Ring conformations from builder
Geoffrey Hutchison
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2017/07/26
Re: [OpenBabel-Devel] Ring conformations from builder
Stefano Forli
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2017/07/26
Re: [OpenBabel-Devel] Ring conformations from builder
Geoffrey Hutchison
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2017/07/26
[OpenBabel-Devel] Ring conformations from builder
Stefano Forli
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2017/07/11
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Mohammad Mehdi Ghahremanpour
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2017/07/11
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Geoffrey Hutchison
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2017/07/10
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Mohammad Mehdi Ghahremanpour
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2017/07/10
Re: [OpenBabel-Devel] Reading multiple charge types from Gaussian output
Geoffrey Hutchison
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2017/07/10
[OpenBabel-Devel] Reading multiple charge types from Gaussian output
Mohammad Mehdi Ghahremanpour
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Mohammad Mehdi Ghahremanpour
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Geoffrey Hutchison
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Mohammad Mehdi Ghahremanpour
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Mohammad Mehdi Ghahremanpour
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Mohammad Mehdi Ghahremanpour
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Noel O'Boyle
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Mohammad Mehdi Ghahremanpour
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Geoffrey Hutchison
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Noel O'Boyle
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2017/07/07
Re: [OpenBabel-Devel] Isotope table
Geoffrey Hutchison
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Mohammad Mehdi Ghahremanpour
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Noel O'Boyle
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2017/07/07
Re: [OpenBabel-Devel] pull request for an old patch
Noel O'Boyle
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2017/07/07
[OpenBabel-Devel] pull request for an old patch
Mohammad Mehdi Ghahremanpour
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2017/07/06
[OpenBabel-Devel] Isotope table
Noel O'Boyle
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2017/07/05
Re: [OpenBabel-Devel] JSON parsing of elements
Matt Swain
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2017/07/03
Re: [OpenBabel-Devel] JSON parsing of elements
Noel O'Boyle
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2017/06/30
Re: [OpenBabel-Devel] Output of charge to sdf file or inchi
Geoffrey Hutchison
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2017/06/29
[OpenBabel-Devel] JSON parsing of elements
Noel O'Boyle
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2017/06/25
[OpenBabel-Devel] Output of charge to sdf file or inchi
David van der Spoel
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2017/06/20
Re: [OpenBabel-Devel] Reading molecular coordinates in standard orientation
David van der Spoel
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2017/06/20
[OpenBabel-Devel] Reading molecular coordinates in standard orientation
Mohammad Mehdi Ghahremanpour
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2017/06/13
[OpenBabel-Devel] Explicit "implicit hydrogen" count and kekulisation now merged
Noel O'Boyle
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2017/06/12
Re: [OpenBabel-Devel] Appveyor tests
Maciek Wójcikowski
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2017/06/12
Re: [OpenBabel-Devel] Appveyor tests
Noel O'Boyle
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2017/06/12
Re: [OpenBabel-Devel] Appveyor tests
Maciek Wójcikowski
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2017/06/09
Re: [OpenBabel-Devel] Appveyor tests
Maciek Wójcikowski
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2017/06/09
Re: [OpenBabel-Devel] Appveyor tests
Maciek Wójcikowski
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2017/06/09
Re: [OpenBabel-Devel] Appveyor tests
Noel O'Boyle
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2017/06/09
Re: [OpenBabel-Devel] Appveyor tests
Maciek Wójcikowski
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2017/06/09
Re: [OpenBabel-Devel] Appveyor tests
Noel O'Boyle
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2017/06/06
Re: [OpenBabel-Devel] Appveyor tests
Noel O'Boyle
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2017/06/05
Re: [OpenBabel-Devel] Appveyor tests
Maciek Wójcikowski
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2017/06/05
[OpenBabel-Devel] Appveyor tests
Noel O'Boyle
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2017/05/26
Re: [OpenBabel-Devel] how to minimize molecular structure energy by AM1 forcefield
Noel O'Boyle
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2017/05/25
[OpenBabel-Devel] how to minimize molecular structure energy by AM1 forcefield
Yalda
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2017/05/18
Re: [OpenBabel-Devel] Pybel and pip install problems
Geoffrey Hutchison
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2017/05/18
[OpenBabel-Devel] Pybel and pip install problems
Noel O'Boyle
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2017/05/13
Re: [OpenBabel-Devel] FYI, Implicit hydrogens and kekulization branch
Geoffrey Hutchison
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2017/05/12
Re: [OpenBabel-Devel] FYI, Implicit hydrogens and kekulization branch
Noel O'Boyle
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2017/05/11
Re: [OpenBabel-Devel] GSoC project introduction - C.C. web repository
Noel O'Boyle
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2017/05/10
Re: [OpenBabel-Devel] [Rdkit-devel] GSoC project introduction - C.C. web repository
Geoffrey Hutchison
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2017/05/10
Re: [OpenBabel-Devel] [Rdkit-devel] GSoC project introduction - C.C. web repository
Browning Nicholas John
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2017/05/10
Re: [OpenBabel-Devel] [Rdkit-devel] GSoC project introduction - C.C. web repository
Brian Kelley
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2017/05/08
[OpenBabel-Devel] GSoC project introduction - C.C. web repository
Nitish Garg
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2017/04/14
[OpenBabel-Devel] FYI, Implicit hydrogens and kekulization branch
Noel O'Boyle
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2017/04/05
[OpenBabel-Devel] BEP: Proposal for removal of Kekule and Aromatic Bond Orders
Noel O'Boyle
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2017/03/24
[OpenBabel-Devel] Moving trackers from SF to GitHub
Noel O'Boyle
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2017/03/20
Re: [OpenBabel-Devel] API/ABI changes review for OpenBabel
Noel O'Boyle
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2017/03/19
[OpenBabel-Devel] API/ABI changes review for OpenBabel
Andrey Ponomarenko
-
2017/03/17
Re: [OpenBabel-Devel] Mailing list change proposal
Geoffrey Hutchison
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2017/03/16
Re: [OpenBabel-Devel] Mailing list change proposal
Stefano Forli
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2017/03/16
Re: [OpenBabel-Devel] Mailing list change proposal
Geoffrey Hutchison
-
2017/03/16
[OpenBabel-Devel] Mailing list change proposal
Noel O'Boyle
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2017/03/06
Re: [OpenBabel-Devel] Convenience functions
Stefano Forli
-
2017/03/06
Re: [OpenBabel-Devel] Convenience functions
Noel O'Boyle
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2017/03/06
Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms
Noel O'Boyle
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2017/03/02
Re: [OpenBabel-Devel] Convenience functions
Stefano Forli
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2017/03/02
Re: [OpenBabel-Devel] Convenience functions
Noel O'Boyle
-
2017/03/02
Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms
Andrew Dalke
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2017/03/02
Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms
Noel O'Boyle
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2017/03/02
Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms
Andrew Dalke
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2017/03/02
Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms
Noel O'Boyle
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2017/03/02
Re: [OpenBabel-Devel] Change to SMILES writer for hypervalent atoms
Craig James
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2017/03/02
Re: [OpenBabel-Devel] Convenience functions
Stefano Forli
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2017/03/02
[OpenBabel-Devel] Change to SMILES writer for hypervalent atoms
Noel O'Boyle
-
2017/03/02
Re: [OpenBabel-Devel] Convenience functions
Noel O'Boyle
-
2017/03/02
Re: [OpenBabel-Devel] Convenience functions
Noel O'Boyle
-
2017/03/01
Re: [OpenBabel-Devel] Convenience functions
Stefano Forli
-
2017/02/26
Re: [OpenBabel-Devel] Convenience functions
Noel O'Boyle
-
2017/02/25
Re: [OpenBabel-Devel] Proposal to overhaul/replace OBElementTable
Noel O'Boyle
-
2017/02/25
Re: [OpenBabel-Devel] Proposal to overhaul/replace OBElementTable
David Hall
-
2017/02/25
Re: [OpenBabel-Devel] Convenience functions
Geoffrey Hutchison
-
2017/02/25
Re: [OpenBabel-Devel] Proposal to overhaul/replace OBElementTable
Geoffrey Hutchison
-
2017/02/25
Re: [OpenBabel-Devel] Convenience functions
Stefano Forli
-
2017/02/25
Re: [OpenBabel-Devel] Convenience functions
Maciek Wójcikowski
-
2017/02/25
[OpenBabel-Devel] Convenience functions
Noel O'Boyle
-
2017/02/24
[OpenBabel-Devel] Proposal to overhaul/replace OBElementTable
Noel O'Boyle
-
2017/02/23
[OpenBabel-Devel] Proposal to remove all duplicated std::string versus const char* methods
Noel O'Boyle
-
2017/02/21
Re: [OpenBabel-Devel] Migrating bugs, features from SourceForge to GitHub
Noel O'Boyle
-
2017/02/21
[OpenBabel-Devel] Migrating bugs, features from SourceForge to GitHub
Geoffrey Hutchison
-
2017/02/21
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/20
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/19
Re: [OpenBabel-Devel] Race conditions
Geoffrey Hutchison
-
2017/02/19
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/19
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/19
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/16
[OpenBabel-Devel] OBMol ctor error on OBDotNet
JohniMichels
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2017/02/12
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/12
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/12
Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement
Noel O'Boyle
-
2017/02/11
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/11
Re: [OpenBabel-Devel] API break (was Race conditions)
Geoffrey Hutchison
-
2017/02/10
Re: [OpenBabel-Devel] API break (was Race conditions)
Noel O'Boyle
-
2017/02/10
Re: [OpenBabel-Devel] API break (was Race conditions)
Geoffrey Hutchison
-
2017/02/10
Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement
Geoffrey Hutchison
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2017/02/08
[OpenBabel-Devel] How to get the list of integers from an ECFP4 fingerprint?
Francois BERENGER
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2017/02/08
Re: [OpenBabel-Devel] Race conditions
Noel O'Boyle
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2017/02/07
Re: [OpenBabel-Devel] Race conditions
Koes, David
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2017/02/07
[OpenBabel-Devel] Race conditions
Noel O'Boyle
-
2017/02/01
Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement
Noel O'Boyle
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2017/01/30
Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement
Noel O'Boyle