Messages by Date
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2015/06/17
[OpenBabel-Devel] SVG "3D" depictions and BountySource
Geoffrey Hutchison
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2015/06/16
Re: [OpenBabel-Devel] [openbabel] OBConversion improvements (#191)
David Koes
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2015/06/16
Re: [OpenBabel-Devel] Fwd: [openbabel] OBConversion improvements (#191)
Noel O'Boyle
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2015/06/16
Re: [OpenBabel-Devel] Fwd: [openbabel] OBConversion improvements (#191)
David Koes
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2015/06/16
Re: [OpenBabel-Devel] Fwd: [openbabel] OBConversion improvements (#191)
Noel O'Boyle
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2015/06/15
[OpenBabel-Devel] Fwd: [openbabel] OBConversion improvements (#191)
Geoffrey Hutchison
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2015/06/04
Re: [OpenBabel-Devel] CIF vs mmCIF
Patrick Fuller
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2015/06/04
[OpenBabel-Devel] CIF vs mmCIF
Kirill Okhotnikov
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2015/05/26
Re: [OpenBabel-Devel] Conda package for OpenBabel
Richard West
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2015/05/26
Re: [OpenBabel-Devel] Conda package for OpenBabel
Patrick Fuller
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2015/05/26
[OpenBabel-Devel] Conda package for OpenBabel
Richard West
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2015/05/10
Re: [OpenBabel-Devel] MOE extensions to SMARTS
Matt Harvey
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2015/05/09
Re: [OpenBabel-Devel] MOE extensions to SMARTS
Geoffrey Hutchison
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2015/05/08
Re: [OpenBabel-Devel] MOE extensions to SMARTS
Geoffrey Hutchison
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2015/05/08
Re: [OpenBabel-Devel] MOE extensions to SMARTS
Noel O'Boyle
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2015/05/08
[OpenBabel-Devel] MOE extensions to SMARTS
Matt Harvey
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2015/05/04
Re: [OpenBabel-Devel] Windows 3rd party libs/dlls
Noel O'Boyle
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2015/05/04
Re: [OpenBabel-Devel] Windows 3rd party libs/dlls
Marcus D. Hanwell
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2015/05/04
Re: [OpenBabel-Devel] Windows 3rd party libs/dlls
Noel O'Boyle
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2015/04/30
[OpenBabel-Devel] OpenBabel version in Python
Maciek Wójcikowski
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2015/04/29
Re: [OpenBabel-Devel] Appveyor
Noel O'Boyle
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Craig James
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2015/04/27
[OpenBabel-Devel] Let's add some tests
Noel O'Boyle
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Geoffrey Hutchison
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Geoffrey Hutchison
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2015/04/27
Re: [OpenBabel-Devel] Windows 3rd party libs/dlls
Geoffrey Hutchison
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Mathias Laurin
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Marcus D. Hanwell
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Michael Banck
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Igor Filippov [Contr]
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Nana Sakisaka
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2015/04/27
Re: [OpenBabel-Devel] Windows 3rd party libs/dlls
Craig James
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
David Koes
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2015/04/27
Re: [OpenBabel-Devel] Windows 3rd party libs/dlls
Marcus D. Hanwell
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2015/04/27
Re: [OpenBabel-Devel] Proposal for a modern C++ codebase
Maciek Wójcikowski
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2015/04/27
[OpenBabel-Devel] Proposal for a modern C++ codebase
Ryushiro Sugehara
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2015/04/26
[OpenBabel-Devel] Windows 3rd party libs/dlls
Noel O'Boyle
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2015/04/25
Re: [OpenBabel-Devel] Appveyor
Noel O'Boyle
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2015/04/24
[OpenBabel-Devel] Appveyor
Noel O'Boyle
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2015/04/15
Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)
Noel O'Boyle
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2015/04/15
Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)
Stefano Forli
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2015/04/14
Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)
Noel O'Boyle
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2015/04/14
Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)
Stefano Forli
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2015/04/14
Re: [OpenBabel-Devel] Strange behavior when finding forcefields (Python)
Noel O'Boyle
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2015/04/13
[OpenBabel-Devel] Strange behavior when finding forcefields (Python)
Stefano Forli
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2015/03/22
Re: [OpenBabel-Devel] 1H-tetrazole and 2H-tetrazole
Noel O'Boyle
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2015/03/22
[OpenBabel-Devel] 1H-tetrazole and 2H-tetrazole
PaulvanMaaren
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2015/03/14
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
David Hall
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Yujie Tian
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Geoffrey Hutchison
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Yujie Tian
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Noel O'Boyle
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
David Hall
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Yujie Tian
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Geoffrey Hutchison
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2015/03/13
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Yujie Tian
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2015/03/12
Re: [OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Noel O'Boyle
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2015/03/12
[OpenBabel-Devel] I installed open babel 2.3.90, but I still can't import pybel
Yujie Tian
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2015/03/12
Re: [OpenBabel-Devel] Ring Conformers
David Hall
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2015/03/12
Re: [OpenBabel-Devel] Ring Conformers
Stefano Forli
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2015/03/12
[OpenBabel-Devel] Ring Conformers
Geoffrey Hutchison
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2015/03/11
[OpenBabel-Devel] No module named pybel
Yujie Tian
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2015/02/20
Re: [OpenBabel-Devel] Is obconformer the same as confab ?
David Hall
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2015/02/20
[OpenBabel-Devel] Is obconformer the same as confab ?
David van der Spoel
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2015/02/15
Re: [OpenBabel-Devel] Mol2 atom number restriction
Reinis Danne
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2015/02/12
Re: [OpenBabel-Devel] [PATCH] Fix build with gcc-5.x
Geoffrey Hutchison
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2015/02/12
Re: [OpenBabel-Devel] Google Summer of Code
Dominik 'Rathann' Mierzejewski
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2015/02/12
Re: [OpenBabel-Devel] [PATCH] Fix build with swig-3.0.x
David Hall
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2015/02/12
Re: [OpenBabel-Devel] [PATCH] Fix build with gcc-5.x
David Hall
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2015/02/12
Re: [OpenBabel-Devel] Google Summer of Code
Reinis Danne
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2015/02/12
Re: [OpenBabel-Devel] Google Summer of Code
David Hall
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2015/02/12
Re: [OpenBabel-Devel] [PATCH] Fix build with gcc-5.x
Dominik 'Rathann' Mierzejewski
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2015/02/11
Re: [OpenBabel-Devel] [PATCH] Fix build with gcc-5.x
Maciek Wójcikowski
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2015/02/11
[OpenBabel-Devel] [PATCH] Fix build with gcc-5.x
Dominik 'Rathann' Mierzejewski
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2015/02/11
[OpenBabel-Devel] [PATCH] Fix build with swig-3.0.x
Dominik 'Rathann' Mierzejewski
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2015/02/10
Re: [OpenBabel-Devel] Mol2 atom number restriction
Craig James
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2015/02/10
Re: [OpenBabel-Devel] Mol2 atom number restriction
Geoffrey Hutchison
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2015/02/10
Re: [OpenBabel-Devel] Mol2 atom number restriction
Stefano Forli
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2015/02/10
Re: [OpenBabel-Devel] Mol2 atom number restriction
Geoffrey Hutchison
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2015/02/10
Re: [OpenBabel-Devel] Mol2 atom number restriction
Stefano Forli
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2015/02/10
[OpenBabel-Devel] Mol2 atom number restriction
Browning Nicholas John
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2015/02/09
Re: [OpenBabel-Devel] Generating symmetry number for a molecule
Geoffrey Hutchison
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2015/02/09
Re: [OpenBabel-Devel] Generating symmetry number for a molecule
David van der Spoel
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2015/02/09
Re: [OpenBabel-Devel] Generating symmetry number for a molecule
Geoffrey Hutchison
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2015/02/06
Re: [OpenBabel-Devel] Library Generation & Stereo-isomer Enumeration
Geoffrey Hutchison
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2015/02/06
Re: [OpenBabel-Devel] Library Generation & Stereo-isomer Enumeration
Noel O'Boyle
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2015/02/05
[OpenBabel-Devel] Library Generation & Stereo-isomer Enumeration
Geoffrey Hutchison
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2015/02/05
Re: [OpenBabel-Devel] Thermochemistry
David van der Spoel
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2015/02/05
Re: [OpenBabel-Devel] Thermochemistry
Noel O'Boyle
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2015/02/05
Re: [OpenBabel-Devel] Thermochemistry
David van der Spoel
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2015/02/04
[OpenBabel-Devel] Generating symmetry number for a molecule
David van der Spoel
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2015/02/03
Re: [OpenBabel-Devel] Google Summer of Code
Noel O'Boyle
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2015/02/03
Re: [OpenBabel-Devel] Fwd: Google Summer of Code
Patrick Fuller
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2015/02/01
[OpenBabel-Devel] Fwd: Google Summer of Code
Geoffrey Hutchison
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2015/02/01
Re: [OpenBabel-Devel] Thermochemistry
Geoffrey Hutchison
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2015/02/01
[OpenBabel-Devel] Thermochemistry
David van der Spoel
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2015/01/24
Re: [OpenBabel-Devel] Pyrrole SMARTS
Geoffrey Hutchison
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2015/01/24
Re: [OpenBabel-Devel] Pyrrole SMARTS
Eva Lacy
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2015/01/23
[OpenBabel-Devel] Google Summer of Code
Geoffrey Hutchison
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2015/01/23
Re: [OpenBabel-Devel] Pyrrole SMARTS
Geoffrey Hutchison
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2015/01/23
[OpenBabel-Devel] Pyrrole SMARTS
Eva Lacy
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2015/01/22
[OpenBabel-Devel] Ring Zero in IMPVAL
Eva Lacy
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2015/01/21
Re: [OpenBabel-Devel] IMPVAL
Eva Lacy
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2015/01/20
Re: [OpenBabel-Devel] IMPVAL
Noel O'Boyle
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2015/01/16
[OpenBabel-Devel] IMPVAL
Eva Lacy
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2015/01/16
Re: [OpenBabel-Devel] Missing OpenBabel Plugins
Eva Lacy
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2015/01/16
Re: [OpenBabel-Devel] Missing OpenBabel Plugins
Noel O'Boyle
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2015/01/16
Re: [OpenBabel-Devel] Missing OpenBabel Plugins
Reinis Danne
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2015/01/15
[OpenBabel-Devel] Missing OpenBabel Plugins
Eva Lacy
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2014/12/11
[OpenBabel-Devel] pip install git+https://github.com/openbabel/openbabel
Patrick Fuller
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2014/12/03
Re: [OpenBabel-Devel] High memory usage when converting to PNG
Noel O'Boyle
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2014/12/02
Re: [OpenBabel-Devel] High memory usage when converting to PNG
Ernst-Georg Schmid
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2014/12/02
Re: [OpenBabel-Devel] High memory usage when converting to PNG
Craig James
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2014/12/02
[OpenBabel-Devel] High memory usage when converting to PNG
Ernst-Georg Schmid
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2014/10/31
Re: [OpenBabel-Devel] Hydrogen-only InChIs
Noel O'Boyle
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2014/10/31
[OpenBabel-Devel] Hydrogen-only InChIs
vamin
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2014/10/24
Re: [OpenBabel-Devel] one discrepancy between developer version of open babel and the stable version in atom types
Mohammad Mehdi Ghahremanpour
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2014/10/24
Re: [OpenBabel-Devel] one discrepancy between developer version of open babel and the stable version in atom types
David van der Spoel
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2014/10/24
Re: [OpenBabel-Devel] one discrepancy between developer version of open babel and the stable version in atom types
Mohammad Mehdi Ghahremanpour
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2014/10/22
Re: [OpenBabel-Devel] one discrepancy between developer version of open babel and the stable version in atom types
Geoffrey Hutchison
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2014/10/22
Re: [OpenBabel-Devel] one discrepancy between developer version of open babel and the stable version in atom types
David van der Spoel
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2014/10/22
Re: [OpenBabel-Devel] one discrepancy between developer version of open babel and the stable version in atom types
Geoffrey Hutchison
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2014/10/22
[OpenBabel-Devel] one discrepancy between developer version of open babel and the stable version in atom types
Mohammad Mehdi Ghahremanpour
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2014/10/12
Re: [OpenBabel-Devel] CIF vs mmCIF Parsing
Patrick Fuller
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2014/10/02
[OpenBabel-Devel] openbabel obenergy error with atomtype
Mohammad Ghahremanpour
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2014/09/26
Re: [OpenBabel-Devel] Error in number of bonds
David Hall
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2014/09/26
[OpenBabel-Devel] Error in number of bonds
Mohammad Ghahremanpour
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2014/09/16
[OpenBabel-Devel] error while transforming an sdf file and minimizing structures
ashika torikora
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2014/09/12
Re: [OpenBabel-Devel] minimization with solvent continuum model.
Geoffrey Hutchison
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2014/09/12
[OpenBabel-Devel] minimization with solvent continuum model.
ashika
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2014/09/04
Re: [OpenBabel-Devel] VASP format and FillUnitCell problem
Geoffrey Hutchison
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2014/09/02
[OpenBabel-Devel] VASP format and FillUnitCell problem
Kirill Okhotnikov
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2014/08/24
[OpenBabel-Devel] [PATCH] Fix use-after-free in xtcformat
Tomáš Trnka
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2014/08/21
Re: [OpenBabel-Devel] CIF vs mmCIF Parsing
Patrick Fuller
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2014/08/21
Re: [OpenBabel-Devel] CIF vs mmCIF Parsing
Geoffrey Hutchison
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2014/08/20
[OpenBabel-Devel] CIF vs mmCIF Parsing
Patrick Fuller
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2014/08/20
Re: [OpenBabel-Devel] Creating a release off of master branch
Ed Kohlwey
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2014/08/19
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Geoffrey Hutchison
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2014/08/14
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Marcin Juszkiewicz
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2014/08/06
Re: [OpenBabel-Devel] Creating a release off of master branch
Geoffrey Hutchison
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2014/08/04
Re: [OpenBabel-Devel] Creating a release off of master branch
Ed Kohlwey
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2014/07/31
Re: [OpenBabel-Devel] Creating a release off of master branch
Geoffrey Hutchison
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2014/07/31
Re: [OpenBabel-Devel] Creating a release off of master branch
Patrick Fuller
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2014/07/31
Re: [OpenBabel-Devel] Creating a release off of master branch
Ed Kohlwey
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2014/07/31
Re: [OpenBabel-Devel] Creating a release off of master branch
Patrick Fuller
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2014/07/31
[OpenBabel-Devel] Creating a release off of master branch
Ed Kohlwey
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2014/07/27
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Yaakov Selkowitz
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2014/07/04
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Marcin Juszkiewicz
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2014/07/03
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Geoffrey Hutchison
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2014/07/01
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Marcin Juszkiewicz
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2014/07/01
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Geoffrey Hutchison
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2014/07/01
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Marcin Juszkiewicz
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2014/06/30
Re: [OpenBabel-Devel] rotor test fails on AArch64 architecture
Geoffrey Hutchison
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2014/06/30
[OpenBabel-Devel] rotor test fails on AArch64 architecture
Marcin Juszkiewicz
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2014/06/06
Re: [OpenBabel-Devel] Depiction of aromatic compounds
Geoffrey Hutchison
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2014/06/06
[OpenBabel-Devel] Depiction of aromatic compounds
Tim Vandermeersch
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2014/05/23
[OpenBabel-Devel] aromatic compounds
david.lagorce
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2014/03/18
Re: [OpenBabel-Devel] More multi-fragment canonical SMILES tests
Tim Vandermeersch
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2014/03/16
Re: [OpenBabel-Devel] More multi-fragment canonical SMILES tests
Geoffrey Hutchison
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2014/03/15
Re: [OpenBabel-Devel] openbabel
Geoffrey Hutchison
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2014/03/11
Re: [OpenBabel-Devel] Smarts & GAFF blues / Kekulization
Geoffrey Hutchison
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2014/03/11
Re: [OpenBabel-Devel] Smarts & GAFF blues / Kekulization
David van der Spoel
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2014/03/08
Re: [OpenBabel-Devel] Smarts & GAFF blues / Kekulization
Paul van Maaren
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2014/03/07
Re: [OpenBabel-Devel] Smarts & GAFF blues / Kekulization
David Osguthorpe
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2014/03/07
Re: [OpenBabel-Devel] Smarts & GAFF blues / Kekulization
David van der Spoel
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2014/03/07
Re: [OpenBabel-Devel] Smarts & GAFF blues / Kekulization
Geoffrey Hutchison
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2014/03/07
Re: [OpenBabel-Devel] Smarts & GAFF blues / Kekulization
David van der Spoel
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2014/03/05
[OpenBabel-Devel] Smarts & GAFF blues
David van der Spoel
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2014/02/26
[OpenBabel-Devel] More multi-fragment canonical SMILES tests
Tim Vandermeersch
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2014/02/21
Re: [OpenBabel-Devel] [Open Babel] Multimolecule canonical SMILES
Lee-Ping Wang
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2014/02/17
Re: [OpenBabel-Devel] [Open Babel] Multimolecule canonical SMILES
Tim Vandermeersch
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2014/02/17
Re: [OpenBabel-Devel] [Open Babel] Multimolecule canonical SMILES
Tim Vandermeersch
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2014/02/17
Re: [OpenBabel-Devel] [Open Babel] Multimolecule canonical SMILES
Geoffrey Hutchison
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2014/02/17
Re: [OpenBabel-Devel] Set Bond Width
Geoffrey Hutchison
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2014/02/16
[OpenBabel-Devel] Set Bond Width
martina
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2014/02/14
Re: [OpenBabel-Devel] [Open Babel] Multimolecule canonical SMILES
Craig James
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2014/02/14
Re: [OpenBabel-Devel] [Open Babel] Multimolecule canonical SMILES
Geoffrey Hutchison
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2014/02/14
Re: [OpenBabel-Devel] [Open Babel] Openbabel build failing on Mac OS
Geoffrey Hutchison
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2014/02/12
[OpenBabel-Devel] OpenBabelGUI.jar
martina
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2014/02/12
[OpenBabel-Devel] OpenBabel.jar lacks classes
martina
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2014/02/10
Re: [OpenBabel-Devel] Big CIF file handling
Patrick Fuller
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2014/02/10
Re: [OpenBabel-Devel] Big CIF file handling
Patrick Fuller
-
2014/02/10
Re: [OpenBabel-Devel] Big CIF file handling
Noel O'Boyle
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2014/02/09
Re: [OpenBabel-Devel] Big CIF file handling
Patrick Fuller
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2014/02/09
Re: [OpenBabel-Devel] Big CIF file handling
Geoffrey Hutchison
-
2014/02/09
Re: [OpenBabel-Devel] Big CIF file handling
Patrick Fuller
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2014/02/09
Re: [OpenBabel-Devel] Big CIF file handling
Patrick Fuller
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2014/02/09
Re: [OpenBabel-Devel] Big CIF file handling
Noel O'Boyle
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2014/02/08
Re: [OpenBabel-Devel] Eqeq and eigen2
Geoffrey Hutchison
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2014/02/08
Re: [OpenBabel-Devel] Big CIF file handling
Patrick Fuller
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2014/02/08
Re: [OpenBabel-Devel] Eqeq and eigen2
Patrick Fuller
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2014/02/07
Re: [OpenBabel-Devel] Eqeq and eigen2
Geoffrey Hutchison
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2014/02/07
Re: [OpenBabel-Devel] Eqeq and eigen2
David Hall
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2014/02/07
[OpenBabel-Devel] Eqeq and eigen2
David Hall
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2014/02/03
Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types
Craig James
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2014/02/03
Re: [OpenBabel-Devel] Big CIF file handling
Noel O'Boyle
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2014/02/03
Re: [OpenBabel-Devel] Big CIF file handling
Patrick Fuller
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2014/02/03
Re: [OpenBabel-Devel] Refining openbabel's aromatic atom types
Geoffrey Hutchison
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2014/02/03
Re: [OpenBabel-Devel] Big CIF file handling
Geoffrey Hutchison
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2014/02/03
[OpenBabel-Devel] Big CIF file handling
Patrick Fuller