Messages by Date
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2014/02/03
[OpenBabel-Devel] Big CIF file handling
Patrick Fuller
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2014/02/03
Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types
ro...@nextmovesoftware.com
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2014/02/02
Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types
Geoffrey Hutchison
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2014/02/02
Re: [OpenBabel-Devel] [Open Babel] pytest_kekule (Failed)
Geoffrey Hutchison
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2014/02/02
[OpenBabel-Devel] Refining openbabel's aromatic atom types
ro...@nextmovesoftware.com
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2014/01/17
Re: [OpenBabel-Devel] OBMol::SetAngle code problem [c++]
Nicholas.Browning
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2014/01/15
[OpenBabel-Devel] OBMol::SetAngle code problem [c++]
Nicholas.Browning
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2014/01/13
Re: [OpenBabel-Devel] Unresolved external: etab on MSVC 2010
thanasio
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2014/01/12
Re: [OpenBabel-Devel] gaff.prm
Geoffrey Hutchison
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2014/01/12
[OpenBabel-Devel] gaff.prm
David van der Spoel
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2014/01/01
Re: [OpenBabel-Devel] PDB Conect changes missing
Geoffrey Hutchison
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2013/12/31
[OpenBabel-Devel] PDB Conect changes missing
Noel O'Boyle
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2013/12/16
Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++)
Nicholas.Browning
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2013/12/16
Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++)
Noel O'Boyle
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2013/12/16
Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++)
Chris Morley
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2013/12/16
Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++)
Nicholas.Browning
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2013/12/16
Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++)
Noel O'Boyle
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2013/12/16
Re: [OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++)
Nicholas.Browning
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2013/12/12
[OpenBabel-Devel] Connecting Molecular Fragments from Separate OBMol Structures (C++)
Browning Nicholas John
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2013/11/26
Re: [OpenBabel-Devel] Templates not exported under MSVC
Noel O'Boyle
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2013/11/26
Re: [OpenBabel-Devel] Problem for compiling the example files
rafel israels
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2013/11/25
Re: [OpenBabel-Devel] Templates not exported under MSVC
Noel O'Boyle
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2013/11/25
Re: [OpenBabel-Devel] Templates not exported under MSVC
Matt Swain
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2013/11/24
Re: [OpenBabel-Devel] Travis CI
David Hall
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2013/11/24
Re: [OpenBabel-Devel] Travis CI
Noel O'Boyle
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2013/11/23
[OpenBabel-Devel] Templates not exported under MSVC
Noel O'Boyle
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2013/11/20
Re: [OpenBabel-Devel] Travis CI
Noel O'Boyle
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2013/11/20
Re: [OpenBabel-Devel] Travis CI
Noel O'Boyle
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2013/11/19
[OpenBabel-Devel] Travis CI
David Hall
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2013/11/18
Re: [OpenBabel-Devel] considering new SWIG binding for R
Kevin Horan
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2013/11/15
Re: [OpenBabel-Devel] Extending what is exported through the python interface
Noel O'Boyle
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2013/11/15
Re: [OpenBabel-Devel] Extending what is exported through the python interface
Casper Steinmann
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2013/11/15
Re: [OpenBabel-Devel] Extending what is exported through the python interface
Noel O'Boyle
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2013/11/15
[OpenBabel-Devel] Extending what is exported through the python interface
Casper Steinmann
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2013/11/15
[OpenBabel-Devel] Problem for compiling the example files
Nicolas Cheron
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2013/11/05
Re: [OpenBabel-Devel] CMake Python Changes
Daniel Leidert
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2013/11/05
Re: [OpenBabel-Devel] CMake Python Changes
Reinis Danne
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2013/11/05
Re: [OpenBabel-Devel] considering new SWIG binding for R
Noel O'Boyle
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2013/11/04
Re: [OpenBabel-Devel] considering new SWIG binding for R
Geoffrey Hutchison
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2013/10/31
Re: [OpenBabel-Devel] [Avogadro-devel] Tenure & Thanks
Marcus D. Hanwell
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2013/10/30
Re: [OpenBabel-Devel] Tenure & Thanks
Craig James
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2013/10/30
Re: [OpenBabel-Devel] Tenure & Thanks
Chris Morley
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2013/10/30
Re: [OpenBabel-Devel] Tenure & Thanks
Noel O'Boyle
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2013/10/30
Re: [OpenBabel-Devel] [Avogadro-devel] Tenure & Thanks
David Lonie
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2013/10/30
[OpenBabel-Devel] Tenure & Thanks
Geoffrey Hutchison
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2013/10/24
Re: [OpenBabel-Devel] CMake Python Changes
Noel O'Boyle
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2013/10/24
Re: [OpenBabel-Devel] CMake Python Changes
Reinis Danne
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2013/10/23
Re: [OpenBabel-Devel] CMake Python Changes
Geoffrey Hutchison
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2013/10/23
Re: [OpenBabel-Devel] CMake Python Changes
Noel O'Boyle
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2013/10/22
Re: [OpenBabel-Devel] CMake Python Changes
Noel O'Boyle
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2013/10/22
[OpenBabel-Devel] CMake Python Changes
David Hall
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2013/10/17
Re: [OpenBabel-Devel] nwchem (nwo) parsing bug
fulvio ciriaco
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2013/10/16
Re: [OpenBabel-Devel] nwchem (nwo) parsing bug
Michael Banck
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2013/10/16
[OpenBabel-Devel] nwchem (nwo) parsing bug
fulvio ciriaco
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2013/10/08
Re: [OpenBabel-Devel] Release strategy
Geoffrey Hutchison
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2013/10/03
Re: [OpenBabel-Devel] Release strategy
Craig James
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2013/10/02
Re: [OpenBabel-Devel] Release strategy
Geoffrey Hutchison
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2013/10/02
[OpenBabel-Devel] Release strategy
Maciek Wójcikowski
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2013/09/26
Re: [OpenBabel-Devel] License
Jean Bréfort
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2013/09/26
Re: [OpenBabel-Devel] License
Geoffrey Hutchison
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2013/09/26
Re: [OpenBabel-Devel] License
Jean Bréfort
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2013/09/26
Re: [OpenBabel-Devel] License
Noel O'Boyle
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2013/09/26
[OpenBabel-Devel] License
David van der Spoel
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2013/08/31
Re: [OpenBabel-Devel] shared_ptr error while compiling master
Noel O'Boyle
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2013/08/30
Re: [OpenBabel-Devel] shared_ptr error while compiling master
Noel O'Boyle
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2013/08/30
[OpenBabel-Devel] shared_ptr error while compiling master
David Lonie
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2013/08/21
Re: [OpenBabel-Devel] Confab
Noel O'Boyle
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2013/08/21
Re: [OpenBabel-Devel] Confab
Ling Chan
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2013/08/13
Re: [OpenBabel-Devel] [Fwd: Bug report on openbabel: obprobe crashes with exit status 139]
Daniel Leidert
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2013/08/13
[OpenBabel-Devel] Problem in C++ API while using the OBMol.Translate function
prabram
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2013/08/08
Re: [OpenBabel-Devel] Disabled chirality in SMARTS?
Geoffrey Hutchison
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2013/08/07
Re: [OpenBabel-Devel] Disabled chirality in SMARTS?
Noel O'Boyle
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2013/08/07
Re: [OpenBabel-Devel] Disabled chirality in SMARTS?
Noel O'Boyle
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2013/08/07
[OpenBabel-Devel] Disabled chirality in SMARTS?
Craig James
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2013/08/07
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Noel O'Boyle
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2013/08/05
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Noel O'Boyle
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2013/07/30
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Marcus D. Hanwell
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2013/07/26
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Marcus D. Hanwell
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2013/07/25
Re: [OpenBabel-Devel] Bug fixes contribution
Geoffrey Hutchison
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2013/07/25
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Marcus D. Hanwell
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2013/07/25
[OpenBabel-Devel] Bug fixes contribution
Kirill Okhotnikov
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2013/07/24
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Chris Morley
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2013/07/24
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Noel O'Boyle
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2013/07/24
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Marcus D. Hanwell
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2013/07/24
Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Noel O'Boyle
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2013/07/24
[OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h
Marcus D. Hanwell
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2013/07/23
Re: [OpenBabel-Devel] Testing...
Noel O'Boyle
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2013/07/23
Re: [OpenBabel-Devel] Testing...
Geoffrey Hutchison
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2013/07/23
[OpenBabel-Devel] Testing...
Craig James
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2013/07/22
Re: [OpenBabel-Devel] Can't compile dev branch
Craig James
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2013/07/22
Re: [OpenBabel-Devel] Can't compile dev branch
Geoffrey Hutchison
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2013/07/22
[OpenBabel-Devel] Can't compile dev branch
Craig James
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2013/07/16
[OpenBabel-Devel] Corrupt memory problem
Craig James
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2013/07/11
Re: [OpenBabel-Devel] Confab
Geoffrey Hutchison
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2013/07/11
Re: [OpenBabel-Devel] Confab
Noel O'Boyle
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2013/07/09
Re: [OpenBabel-Devel] highlight substructures with pybel
david.lagorce
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2013/07/08
Re: [OpenBabel-Devel] highlight substructures with pybel
Noel O'Boyle
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2013/07/08
Re: [OpenBabel-Devel] highlight substructures with pybel
david.lagorce
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2013/07/04
Re: [OpenBabel-Devel] highlight substructures with pybel
Geoffrey Hutchison
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2013/07/04
[OpenBabel-Devel] highlight substructures with pybel
David Lagorce
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2013/07/02
Re: [OpenBabel-Devel] no openbabel bindings for OCaml?
Francois Berenger
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2013/07/02
Re: [OpenBabel-Devel] no openbabel bindings for OCaml?
Geoffrey Hutchison
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2013/07/02
[OpenBabel-Devel] no openbabel bindings for OCaml?
Francois Berenger
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2013/07/02
Re: [OpenBabel-Devel] mol2 atom type to mass conversion
David Lonie
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2013/07/01
Re: [OpenBabel-Devel] mol2 atom type to mass conversion
Francois Berenger
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2013/06/28
Re: [OpenBabel-Devel] mol2 atom type to mass conversion
Geoffrey Hutchison
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2013/06/27
[OpenBabel-Devel] Fwd: Data format changes for PDB entries containing large structures
Geoffrey Hutchison
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2013/06/27
[OpenBabel-Devel] [Fwd: Bug report on openbabel: obprobe crashes with exit status 139]
Daniel Leidert
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2013/06/26
[OpenBabel-Devel] mol2 atom type to mass conversion
Francois Berenger
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2013/06/20
Re: [OpenBabel-Devel] Simplex minimization
David Lonie
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2013/06/20
Re: [OpenBabel-Devel] Simplex minimization
Maciek Wójcikowski
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2013/06/19
Re: [OpenBabel-Devel] Simplex minimization
Geoffrey Hutchison
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2013/06/19
[OpenBabel-Devel] Simplex minimization
Maciek Wójcikowski
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2013/06/18
Re: [OpenBabel-Devel] InChI from obabel differs from direct C++ code
Craig James
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2013/06/18
Re: [OpenBabel-Devel] InChI from obabel differs from direct C++ code
Noel O'Boyle
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2013/06/18
[OpenBabel-Devel] InChI from obabel differs from direct C++ code
Craig James
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2013/06/18
Re: [OpenBabel-Devel] InChI from obabel differs from direct C++ code
Noel O'Boyle
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2013/06/18
[OpenBabel-Devel] InChI from obabel differs from direct C++ code
Craig James
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2013/06/14
Re: [OpenBabel-Devel] OpenBabel Perl doesn't work
Noel O'Boyle
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2013/06/12
[OpenBabel-Devel] Coverity Scan
Geoffrey Hutchison
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2013/06/12
[OpenBabel-Devel] OpenBabel Perl doesn't work
Craig James
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2013/06/12
Re: [OpenBabel-Devel] Perl bindings
Craig James
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2013/06/12
Re: [OpenBabel-Devel] Perl bindings
Craig James
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2013/06/12
Re: [OpenBabel-Devel] Perl bindings
Craig James
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2013/06/12
Re: [OpenBabel-Devel] Perl bindings
Noel O'Boyle
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2013/06/11
[OpenBabel-Devel] Perl bindings
Craig James
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2013/06/11
Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module
Craig James
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2013/06/11
Re: [OpenBabel-Devel] Persistent OBConversion error message
Geoff Hutchison
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2013/06/11
Re: [OpenBabel-Devel] Persistent OBConversion error message
Noel O'Boyle
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2013/06/11
[OpenBabel-Devel] Persistent OBConversion error message
Craig James
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2013/06/11
[OpenBabel-Devel] Hola Devs!
Roscoe Casita
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2013/06/09
Re: [OpenBabel-Devel] Better(?) test runner
Noel O'Boyle
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2013/06/06
Re: [OpenBabel-Devel] Confab
Geoffrey Hutchison
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2013/06/06
Re: [OpenBabel-Devel] Confab
Noel O'Boyle
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2013/06/06
Re: [OpenBabel-Devel] Confab
Geoffrey Hutchison
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2013/05/17
Re: [OpenBabel-Devel] Reading and writing multiple conformers
Chris Morley
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2013/05/16
Re: [OpenBabel-Devel] Partial charges
Geoffrey Hutchison
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2013/05/16
Re: [OpenBabel-Devel] Reading and writing multiple conformers
Geoffrey Hutchison
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2013/05/15
Re: [OpenBabel-Devel] Better(?) test runner
Geoffrey Hutchison
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2013/05/15
[OpenBabel-Devel] Better(?) test runner
Noel O'Boyle
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2013/05/13
Re: [OpenBabel-Devel] Proposal to deprecate babel
Chris Morley
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2013/05/13
Re: [OpenBabel-Devel] Proposal to deprecate babel
Igor Filippov [Contr]
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2013/05/13
[OpenBabel-Devel] Partial charges
Noel O'Boyle
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2013/05/11
Re: [OpenBabel-Devel] Proposal to deprecate babel
Craig James
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2013/05/11
Re: [OpenBabel-Devel] Proposal to deprecate babel
David van der Spoel
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2013/05/11
[OpenBabel-Devel] Proposal to deprecate babel
Noel O'Boyle
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
David Lonie
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
David Lonie
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
Cohen, Ron
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
Cohen, Ron
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
Cohen, Ron
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
Cohen, Ron
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
Cohen, Ron
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2013/05/06
Re: [OpenBabel-Devel] protonate molecule bizzare behaviour
thanasio
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2013/05/06
Re: [OpenBabel-Devel] bug in abinitformat.cpp
David Lonie
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2013/04/30
Re: [OpenBabel-Devel] types.txt
Geoffrey Hutchison
-
2013/04/30
Re: [OpenBabel-Devel] types.txt
David van der Spoel
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2013/04/30
Re: [OpenBabel-Devel] types.txt
David van der Spoel
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2013/04/29
[OpenBabel-Devel] Confab
Noel O'Boyle
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2013/04/28
Re: [OpenBabel-Devel] 'oping for help with confab
Noel O'Boyle
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2013/04/27
Re: [OpenBabel-Devel] 'oping for help with confab
Chris Morley
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2013/04/27
Re: [OpenBabel-Devel] 'oping for help with confab
Noel O'Boyle
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2013/04/27
[OpenBabel-Devel] 'oping for help with confab
Noel O'Boyle
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2013/04/26
Re: [OpenBabel-Devel] types.txt
Geoffrey Hutchison
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2013/04/26
Re: [OpenBabel-Devel] types.txt
Noel O'Boyle
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2013/04/26
Re: [OpenBabel-Devel] types.txt
David van der Spoel
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2013/04/26
Re: [OpenBabel-Devel] types.txt
Noel O'Boyle
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2013/04/26
Re: [OpenBabel-Devel] types.txt
David van der Spoel
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2013/04/25
Re: [OpenBabel-Devel] types.txt
David van der Spoel
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2013/04/25
Re: [OpenBabel-Devel] types.txt
Geoffrey Hutchison
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2013/04/25
Re: [OpenBabel-Devel] types.txt
David van der Spoel
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2013/04/25
[OpenBabel-Devel] types.txt
David van der Spoel
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2013/04/21
[OpenBabel-Devel] statically linked openbabel with inchi
Filippov, Igor (NIH/NLM/NCBI) [C]
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2013/04/20
Re: [OpenBabel-Devel] protonate molecule bizzare behaviour
Geoffrey Hutchison
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2013/04/19
Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match
Geoffrey Hutchison
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2013/04/19
Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match
Marcus D. Hanwell
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2013/04/19
[OpenBabel-Devel] protonate molecule bizzare behaviour
thanasio
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2013/04/15
Re: [OpenBabel-Devel] abinit parsing
fulvio ciriaco
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2013/04/15
Re: [OpenBabel-Devel] abinit parsing
Geoffrey Hutchison
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2013/04/11
Re: [OpenBabel-Devel] abinit parsing
fulvio ciriaco
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2013/04/11
Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match
Marcus D. Hanwell
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2013/04/10
Re: [OpenBabel-Devel] MDL Molfile Extensions in Open Babel?
Matt Swain
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2013/04/09
Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match
Noel O'Boyle
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2013/04/09
Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match
Noel O'Boyle
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2013/04/08
Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match
David van der Spoel
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2013/04/08
[OpenBabel-Devel] Bug in obabel on Mac when input and output formats match
Marcus D. Hanwell
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2013/04/04
Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module
Noel O'Boyle
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2013/04/04
Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module
Craig James
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2013/04/04
Re: [OpenBabel-Devel] Can't initialize OB internals from swig-generated module
Noel O'Boyle
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2013/04/03
[OpenBabel-Devel] Can't initialize OB internals from swig-generated module
Craig James
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2013/03/29
Re: [OpenBabel-Devel] What's new in OB?
Craig James
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2013/03/29
Re: [OpenBabel-Devel] What's new in OB?
Reinis Danne
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2013/03/29
Re: [OpenBabel-Devel] using openbabel in R
Kevin Horan
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2013/03/28
Re: [OpenBabel-Devel] Can we contribute code to contributed/trunk/java?
Pudney Chris (ext) GBJH
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2013/03/28
Re: [OpenBabel-Devel] Another valence problem: [PH4+] vs [NH4+]
Geoffrey Hutchison
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2013/03/28
[OpenBabel-Devel] Another valence problem: [PH4+] vs [NH4+]
Craig James
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2013/03/28
Re: [OpenBabel-Devel] SMILES error on aromatic N?
Craig James
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2013/03/28
Re: [OpenBabel-Devel] What's new in OB?
Craig James
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2013/03/28
Re: [OpenBabel-Devel] SMILES error on aromatic N?
Chris Morley
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2013/03/27
Re: [OpenBabel-Devel] What's new in OB?
David van der Spoel