Messages by Date
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2017/01/30
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
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2017/01/27
Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement
Geoffrey Hutchison
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2017/01/27
Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement
Geoffrey Hutchison
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2017/01/27
[OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement
Noel O'Boyle
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2017/01/24
Re: [OpenBabel-Devel] Proline Bond Lists
Geoffrey Hutchison
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2017/01/20
Re: [OpenBabel-Devel] Proline Bond Lists
Stefano Forli
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2017/01/20
Re: [OpenBabel-Devel] Proline Bond Lists
Stefano Forli
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2017/01/19
Re: [OpenBabel-Devel] Proline Bond Lists
Geoffrey Hutchison
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2017/01/19
Re: [OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
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2017/01/19
Re: [OpenBabel-Devel] Proline Bond Lists
Geoffrey Hutchison
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2017/01/19
Re: [OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
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2017/01/19
Re: [OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
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2017/01/19
Re: [OpenBabel-Devel] Compiling OpenBabel with gcc and g++
Noel O'Boyle
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2017/01/19
[OpenBabel-Devel] Compiling OpenBabel with gcc and g++
Mohammad Mehdi Ghahremanpour
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2017/01/12
[OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
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2016/11/14
Re: [OpenBabel-Devel] FASTA File
Noel O'Boyle
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2016/11/13
Re: [OpenBabel-Devel] FASTA File
Geoffrey Hutchison
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2016/11/13
[OpenBabel-Devel] FASTA File
Joshua Barnett
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2016/10/31
Re: [OpenBabel-Devel] Question about openbabel ECFP fingerprint
Geoffrey Hutchison
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2016/10/11
Re: [OpenBabel-Devel] 2.4.1
Maciek Wójcikowski
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2016/10/11
Re: [OpenBabel-Devel] 2.4.1
Michael Banck
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2016/10/10
[OpenBabel-Devel] 2.4.1
Geoffrey Hutchison
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2016/10/09
Re: [OpenBabel-Devel] OB API/ABI changes
Geoffrey Hutchison
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2016/10/06
Re: [OpenBabel-Devel] OB API/ABI changes
Michael Banck
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2016/10/06
[OpenBabel-Devel] Fwd: InChI Software version 1.05
Noel O'Boyle
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2016/09/24
[OpenBabel-Devel] Fwd: Re: Python bindings version
Noel O'Boyle
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2016/09/22
[OpenBabel-Devel] ANNOUNCE: Open Babel 2.4.0 Released
Geoffrey Hutchison
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2016/09/16
[OpenBabel-Devel] Release candidates for Windows: GUI and Python
Noel O'Boyle
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2016/09/12
Re: [OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
NakataMaho
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2016/09/12
Re: [OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
NakataMaho
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2016/09/12
Re: [OpenBabel-Devel] Another bug: -oreport reports incorrect hydrogen number
NakataMaho
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2016/09/12
Re: [OpenBabel-Devel] possibly a bug: no spin multiplicity in S, K
NakataMaho
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2016/09/12
[OpenBabel-Devel] Carbon with 5 bonds
Stefano Forli
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2016/09/12
Re: [OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
Geoffrey Hutchison
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2016/09/11
[OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
NakataMaho
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2016/09/11
[OpenBabel-Devel] Another bug: -oreport reports incorrect hydrogen number
NakataMaho
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2016/09/11
[OpenBabel-Devel] possibly a bug in smiles format
NakataMaho
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2016/09/02
Re: [OpenBabel-Devel] Implicit copy constructor
Geoffrey Hutchison
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2016/09/02
[OpenBabel-Devel] Implicit copy constructor
Mohammad Mehdi Ghahremanpour
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2016/08/26
Re: [OpenBabel-Devel] problem with requesting for git pull
Noel O'Boyle
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2016/08/26
[OpenBabel-Devel] problem with requesting for git pull
Mohammad Mehdi Ghahremanpour
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2016/08/09
[OpenBabel-Devel] new MacroMolecular Transmission Format (MMTF)
Stefano Forli
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2016/07/17
Re: [OpenBabel-Devel] [Open Babel] GAFF2 in babel?
Geoffrey Hutchison
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2016/07/07
Re: [OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
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2016/07/07
Re: [OpenBabel-Devel] Windows + Data directory.
Kirill Okhotnikov
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2016/07/07
Re: [OpenBabel-Devel] Windows + Data directory.
Geoffrey Hutchison
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2016/07/07
Re: [OpenBabel-Devel] Windows + Data directory.
Geoffrey Hutchison
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2016/07/07
Re: [OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
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2016/07/07
Re: [OpenBabel-Devel] Windows + Data directory.
Kirill Okhotnikov
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2016/07/05
Re: [OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
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2016/07/05
Re: [OpenBabel-Devel] Conda Windows
Geoffrey Hutchison
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2016/07/05
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
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2016/07/05
Re: [OpenBabel-Devel] Windows + Data directory.
Geoffrey Hutchison
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2016/07/05
Re: [OpenBabel-Devel] Conda Windows
Geoffrey Hutchison
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2016/07/05
Re: [OpenBabel-Devel] Conda Windows
Björn Grüning
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2016/07/04
[OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
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2016/07/04
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
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2016/07/03
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
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2016/07/03
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
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2016/07/03
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
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2016/07/03
[OpenBabel-Devel] Conda Windows
Noel O'Boyle
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2016/06/29
Re: [OpenBabel-Devel] fillUC sets space group to P1?
Geoffrey Hutchison
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2016/06/28
[OpenBabel-Devel] fillUC sets space group to P1?
Patrick Avery
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2016/06/26
Re: [OpenBabel-Devel] OB API/ABI changes
Stefano Forli
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2016/06/23
Re: [OpenBabel-Devel] Treat warnings as errors
Geoffrey Hutchison
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2016/06/23
Re: [OpenBabel-Devel] Treat warnings as errors
Noel O'Boyle
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2016/06/23
Re: [OpenBabel-Devel] Treat warnings as errors
Geoff Hutchison
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2016/06/23
[OpenBabel-Devel] Treat warnings as errors
Noel O'Boyle
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2016/06/21
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
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2016/06/14
Re: [OpenBabel-Devel] Pybel error
Leonardo Lazzaro
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2016/06/14
Re: [OpenBabel-Devel] Pybel error
Geoffrey Hutchison
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2016/06/13
Re: [OpenBabel-Devel] Release notes - anything missing?
Geoffrey Hutchison
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2016/06/13
Re: [OpenBabel-Devel] Release notes - anything missing?
Noel O'Boyle
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2016/06/12
Re: [OpenBabel-Devel] Release notes - anything missing?
Maciek Wójcikowski
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2016/06/11
[OpenBabel-Devel] Release notes - anything missing?
Noel O'Boyle
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2016/06/09
Re: [OpenBabel-Devel] Building openbabel with Intel compilers
Noel O'Boyle
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2016/06/09
[OpenBabel-Devel] Building openbabel with Intel compilers
Maik Schmidt
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2016/06/02
Re: [OpenBabel-Devel] OB API/ABI changes
Geoffrey Hutchison
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2016/06/01
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
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2016/06/01
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
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2016/06/01
Re: [OpenBabel-Devel] OB API/ABI changes
David van der Spoel
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2016/06/01
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
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2016/05/27
Re: [OpenBabel-Devel] OB API/ABI changes
David van der Spoel
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2016/05/27
Re: [OpenBabel-Devel] OB API/ABI changes
Stefano Forli
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2016/05/27
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
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2016/05/23
Re: [OpenBabel-Devel] OB API/ABI changes
Geoffrey Hutchison
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2016/05/22
[OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
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2016/05/16
[OpenBabel-Devel] Incoming release question
Stefano Forli
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2016/04/22
Re: [OpenBabel-Devel] big in cif input format
Jean Brefort
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2016/04/18
[OpenBabel-Devel] bug in monoclinic space groups
Cohen, Ronald
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2016/04/06
Re: [OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
David van der Spoel
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2016/04/06
Re: [OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
Geoffrey Hutchison
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2016/04/05
Re: [OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
Noel O'Boyle
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2016/04/04
[OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
Geoffrey Hutchison
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2016/03/14
Re: [OpenBabel-Devel] [Open Babel] 1-substituted adamantane InChIKeys
John M
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2016/03/12
Re: [OpenBabel-Devel] fedora openbabel-devel rpm package
Dominik 'Rathann' Mierzejewski
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2016/03/11
[OpenBabel-Devel] fedora openbabel-devel rpm package
Igor Filippov
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2016/03/11
Re: [OpenBabel-Devel] [Open Babel] Azide and protonation: disappearing nitrogen
Stefano Forli
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2016/03/11
Re: [OpenBabel-Devel] [Open Babel] 1-substituted adamantane InChIKeys
Geoffrey Hutchison
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2016/03/10
Re: [OpenBabel-Devel] Regarding Google Summer of Code project
Geoffrey Hutchison
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2016/03/09
Re: [OpenBabel-Devel] [Open Babel] Azide and protonation: disappearing nitrogen
Stefano Forli
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2016/03/01
Re: [OpenBabel-Devel] [Open Babel] Open Chemistry in Google Summer of Code
Nathan Pimental
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2016/02/29
[OpenBabel-Devel] OBMol::EndModify
David van der Spoel
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2016/02/29
[OpenBabel-Devel] Open Chemistry in Google Summer of Code
Geoffrey Hutchison
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2016/02/26
[OpenBabel-Devel] GetAtomIDNumber Bug
Browning Nicholas John
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2016/02/10
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Geoffrey Hutchison
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2016/02/09
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Mohammad Mehdi Ghahremanpour
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2016/02/08
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Noel O'Boyle
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2016/02/08
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David van der Spoel
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2016/02/08
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Geoffrey Hutchison
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2016/02/08
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David van der Spoel
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2016/02/08
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David Lonie
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2016/02/08
[OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David van der Spoel
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2016/02/08
Re: [OpenBabel-Devel] bondtyp.txt
David van der Spoel
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2016/02/08
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Noel O'Boyle
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2016/02/06
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Marcus D. Hanwell
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2016/02/06
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Noel O'Boyle
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2016/02/06
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Marcus D. Hanwell
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2016/02/06
[OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Marcus D. Hanwell
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2016/02/05
Re: [OpenBabel-Devel] bondtyp.txt
Mohammad Mehdi Ghahremanpour
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2016/02/05
Re: [OpenBabel-Devel] bondtyp.txt
Geoffrey Hutchison
-
2016/02/05
[OpenBabel-Devel] bondtyp.txt
Mohammad Mehdi Ghahremanpour
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2016/02/02
Re: [OpenBabel-Devel] How to get force fields parameters
iwao aoyama
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2016/01/30
[OpenBabel-Devel] Last Call for 2.4 contributions
Geoffrey Hutchison
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2016/01/26
Re: [OpenBabel-Devel] Generating SMARTS format
Geoffrey Hutchison
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2016/01/25
Re: [OpenBabel-Devel] Generating SMARTS format
Mohammad Mehdi Ghahremanpour
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2016/01/25
Re: [OpenBabel-Devel] Generating SMARTS format
Geoffrey Hutchison
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2016/01/25
Re: [OpenBabel-Devel] Generating SMARTS format
Mohammad Mehdi Ghahremanpour
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2016/01/20
Re: [OpenBabel-Devel] Generating SMARTS format
Geoffrey Hutchison
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2016/01/20
Re: [OpenBabel-Devel] Generating SMARTS format
David van der Spoel
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2016/01/20
Re: [OpenBabel-Devel] Generating SMARTS format
Fredrik Wallner
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2016/01/18
Re: [OpenBabel-Devel] Generating SMARTS format
Stefano Forli
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2016/01/18
[OpenBabel-Devel] Generating SMARTS format
Mohammad Mehdi Ghahremanpour
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2016/01/11
Re: [OpenBabel-Devel] Bonds for unusual valencies
Geoffrey Hutchison
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2016/01/11
Re: [OpenBabel-Devel] Bonds for unusual valencies
David van der Spoel
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2016/01/11
Re: [OpenBabel-Devel] Bonds for unusual valencies
Geoffrey Hutchison
-
2016/01/11
Re: [OpenBabel-Devel] Bonds for unusual valencies
David van der Spoel
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2016/01/11
Re: [OpenBabel-Devel] Bonds for unusual valencies
Craig James
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2016/01/11
[OpenBabel-Devel] Bonds for unusual valencies
David van der Spoel
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2016/01/07
[OpenBabel-Devel] Fulleren energy calculatuion
Ruslan
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2015/12/29
Re: [OpenBabel-Devel] (no subject)
Geoffrey Hutchison
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2015/12/29
Re: [OpenBabel-Devel] new HbondAcceptor() function
Stefano Forli
-
2015/12/29
Re: [OpenBabel-Devel] (no subject)
David van der Spoel
-
2015/12/29
[OpenBabel-Devel] (no subject)
Stefano Forli
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2015/12/18
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
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2015/12/18
[OpenBabel-Devel] OBAlign Stressing
Pranav
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2015/12/16
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
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2015/12/16
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
-
2015/12/15
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
David van der Spoel
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2015/12/14
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Stefano Forli
-
2015/12/14
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Maciek Wójcikowski
-
2015/12/14
[OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
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2015/12/11
[OpenBabel-Devel] Linking openbabel-dev formats
David van der Spoel
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2015/12/10
[OpenBabel-Devel] OBBond.IsEster() matches free carboxy groups
Stefano Forli
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2015/12/08
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Stefano Forli
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2015/12/08
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
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2015/12/07
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Stefano Forli
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2015/12/07
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
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2015/12/07
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
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2015/12/07
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
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2015/12/04
Re: [OpenBabel-Devel] python cast of OBStereo.NoRef
TJ O'Donnell
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2015/12/04
Re: [OpenBabel-Devel] python cast of OBStereo.NoRef
Geoffrey Hutchison
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2015/12/04
Re: [OpenBabel-Devel] canonical dot-separated smiles
Geoffrey Hutchison
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2015/12/04
Re: [OpenBabel-Devel] cmake formats
Geoffrey Hutchison
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2015/12/04
Re: [OpenBabel-Devel] Conflict with system locale.h
Geoffrey Hutchison
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2015/12/04
[OpenBabel-Devel] Space Groups in PDB files
Geoffrey Hutchison
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2015/12/04
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Geoffrey Hutchison
-
2015/12/04
[OpenBabel-Devel] Conflict with system locale.h
David van der Spoel
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2015/12/04
[OpenBabel-Devel] OBPair support in Mol2 format
Stefano Forli
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2015/11/18
Re: [OpenBabel-Devel] PQR reading file
ggbs
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2015/11/18
[OpenBabel-Devel] PQR reading file
ggbs
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2015/11/12
Re: [OpenBabel-Devel] How to get force fields parameters
iwao aoyama
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2015/11/02
[OpenBabel-Devel] canonical dot-separated smiles
TJ O'Donnell
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2015/10/30
[OpenBabel-Devel] python cast of OBStereo.NoRef
TJ O'Donnell
-
2015/10/16
[OpenBabel-Devel] cmake formats
David Koes
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2015/10/10
Re: [OpenBabel-Devel] How to get force fields parameters
iwao aoyama
-
2015/10/09
[OpenBabel-Devel] How to get force fields parameters
iwao aoyama
-
2015/10/07
Re: [OpenBabel-Devel] Gen2D screws up stereo?
Craig James
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2015/10/07
Re: [OpenBabel-Devel] Gen2D screws up stereo?
Craig James
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2015/10/07
Re: [OpenBabel-Devel] Gen2D screws up stereo?
Noel O'Boyle
-
2015/10/07
[OpenBabel-Devel] Gen2D screws up stereo?
Craig James
-
2015/08/24
Re: [OpenBabel-Devel] Problem with Win7 and MinGW - no Plugins loaded
Lenk, Dagmar
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2015/08/22
Re: [OpenBabel-Devel] Problem with Win7 and MinGW - no Plugins loaded
Noel O'Boyle
-
2015/08/21
[OpenBabel-Devel] Problem with Win7 and MinGW - no Plugins loaded
Daggi
-
2015/08/20
Re: [OpenBabel-Devel] Building Babel on Mac
Fredrik Wallner
-
2015/08/19
Re: [OpenBabel-Devel] Building Babel on Mac
Geoffrey Hutchison
-
2015/08/19
Re: [OpenBabel-Devel] Building Babel on Mac
Fredrik Wallner
-
2015/08/19
Re: [OpenBabel-Devel] Building Babel on Mac
Geoffrey Hutchison
-
2015/08/19
[OpenBabel-Devel] Building Babel on Mac
CHAO-JUNG LIU
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2015/08/04
[OpenBabel-Devel] CIF file to xyz without broken ends
mohan
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2015/07/15
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
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2015/07/15
Re: [OpenBabel-Devel] git version of OB broken?
Geoffrey Hutchison
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2015/07/15
Re: [OpenBabel-Devel] OpenBabel-Devel Digest, Vol 107, Issue 2
David Koes
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2015/07/15
[OpenBabel-Devel] pull request problem
David van der Spoel
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2015/07/15
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
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2015/07/13
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
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2015/07/13
Re: [OpenBabel-Devel] git version of OB broken?
Noel O'Boyle
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2015/07/13
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
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2015/07/12
[OpenBabel-Devel] git version of OB broken?
David van der Spoel