Messages by Date
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2025/05/07
[OpenBabel-Devel] Error on compiling openbabel GUI of latest version
Alexander Georg Maurer via OpenBabel-Devel
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2024/02/22
Re: [OpenBabel-Devel] Debugging tests
Geoffrey Hutchison
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2024/02/21
Re: [OpenBabel-Devel] Debugging tests
David van der Spoel
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2024/02/14
[OpenBabel-Devel] Debugging tests
David van der Spoel
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2023/12/23
Re: [OpenBabel-Devel] hin-format upgrade
Igor Leontyev via OpenBabel-Devel
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2023/12/05
Re: [OpenBabel-Devel] hin-format upgrade
Yi-shu Tu
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2023/12/05
[OpenBabel-Devel] hin-format upgrade
Igor Leontyev via OpenBabel-Devel
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2023/10/24
[OpenBabel-Devel] Open Babel website
Geoffrey Hutchison
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2021/08/01
Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups
David van der Spoel
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2021/07/27
Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups
David van der Spoel
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2021/07/27
Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups
Noel O'Boyle
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2021/07/26
Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups
David van der Spoel
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2021/07/26
Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups
Noel O'Boyle
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2021/07/26
Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups
David Koes
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2021/07/26
[OpenBabel-Devel] Non-integer bond orders for resonant groups
David van der Spoel
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2021/06/11
Re: [OpenBabel-Devel] charge for bond order perception
David van der Spoel
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
David Koes
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
David van der Spoel
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
David Koes
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
David van der Spoel
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
David Koes
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
Ghahremanpour, Mohammad
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
Marie-Madeleine Walz
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2021/06/08
Re: [OpenBabel-Devel] charge for bond order perception
Marie-Madeleine Walz
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2021/06/07
Re: [OpenBabel-Devel] charge for bond order perception
David Koes
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2021/06/07
Re: [OpenBabel-Devel] charge for bond order perception
Marie-Madeleine Walz
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2021/06/04
Re: [OpenBabel-Devel] bondtyper.cpp
Stefano Forli
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2021/06/04
Re: [OpenBabel-Devel] charge for bond order perception
David Koes
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2021/06/04
Re: [OpenBabel-Devel] bondtyper.cpp
David Koes
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2021/06/03
Re: [OpenBabel-Devel] charge for bond order perception
Marie-Madeleine Walz
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2021/05/28
[OpenBabel-Devel] charge for bond order perception
Marie-Madeleine Walz
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2021/05/14
Re: [OpenBabel-Devel] bondtyper.cpp
Stefano Forli
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2021/05/13
Re: [OpenBabel-Devel] bondtyper.cpp
Ghahremanpour, Mohammad
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2021/05/13
Re: [OpenBabel-Devel] bondtyper.cpp
David van der Spoel
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2021/05/13
Re: [OpenBabel-Devel] bondtyper.cpp
Ghahremanpour, Mohammad
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2021/05/13
Re: [OpenBabel-Devel] bondtyper.cpp
David Koes
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2021/05/13
Re: [OpenBabel-Devel] bondtyper.cpp
David van der Spoel
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2021/05/11
Re: [OpenBabel-Devel] bondtyper.cpp
David Koes
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2021/05/11
[OpenBabel-Devel] bondtyper.cpp
David van der Spoel
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2021/01/12
[OpenBabel-Devel] mmCIF element parsing bug
Stefano Forli
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2020/09/28
[OpenBabel-Devel] Installing on MacOS
David van der Spoel
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2020/05/17
[OpenBabel-Devel] Python bindings for 3.1.1
Noel O'Boyle
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2020/05/07
[OpenBabel-Devel] Setting a security policy for Open Babel?
Geoffrey Hutchison
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2020/05/01
Re: [OpenBabel-Devel] script bindings / Use of EXTERN in headers
David van der Spoel
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2020/05/01
[OpenBabel-Devel] script bindings / Use of EXTERN in headers
Geoffrey Hutchison
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2020/04/28
Re: [OpenBabel-Devel] Last call for 3.0.1 release
Geoffrey Hutchison
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2020/04/27
Re: [OpenBabel-Devel] Last call for 3.0.1 release
Noel O'Boyle
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2020/04/27
[OpenBabel-Devel] Last call for 3.0.1 release
Geoffrey Hutchison
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2020/04/11
Re: [OpenBabel-Devel] Migrating to GitHub build actions
Noel O'Boyle
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2020/04/09
[OpenBabel-Devel] Migrating to GitHub build actions
Geoffrey Hutchison
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2020/04/08
Re: [OpenBabel-Devel] Travis CI no longer running on PRs
Geoffrey Hutchison
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2020/04/08
Re: [OpenBabel-Devel] Travis CI no longer running on PRs
Noel O'Boyle
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2020/04/08
[OpenBabel-Devel] Travis CI no longer running on PRs
Noel O'Boyle
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2020/04/03
[OpenBabel-Devel] Hardening Open Babel (i.e. fuzzing)
Geoffrey Hutchison
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2020/04/03
Re: [OpenBabel-Devel] Fixing distance geometry stereo issue
Tim Vandermeersch
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2020/04/01
Re: [OpenBabel-Devel] Fixing distance geometry stereo issue
Geoffrey Hutchison
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2020/04/01
[OpenBabel-Devel] Fixing distance geometry stereo issue
Tim Vandermeersch
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2020/03/26
Re: [OpenBabel-Devel] If someone had time on their hands (now) …
Stefano Forli
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2020/03/26
[OpenBabel-Devel] If someone had time on their hands (now) …
Geoffrey Hutchison
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2020/03/04
Re: [OpenBabel-Devel] Mixed compilation does not compile novel plugin
Rodrigo Quiroga
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2020/02/28
Re: [OpenBabel-Devel] Mixed compilation does not compile novel plugin
Geoffrey Hutchison
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2020/02/28
[OpenBabel-Devel] Mixed compilation does not compile novel plugin
Rodrigo Quiroga
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2020/02/17
Re: [OpenBabel-Devel] Willing to contribute to Openbabel
Noel O'Boyle
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2020/02/13
Re: [OpenBabel-Devel] Willing to contribute to Openbabel
Naruki Yoshikawa
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2020/02/12
Re: [OpenBabel-Devel] Willing to contribute to Openbabel
Geoffrey Hutchison
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2020/02/12
[OpenBabel-Devel] Willing to contribute to Openbabel
Hashim Chaudhry
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2020/02/11
Re: [OpenBabel-Devel] Docs on handling of stereo
Noel O'Boyle
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2020/02/11
Re: [OpenBabel-Devel] Docs on handling of stereo
Noel O'Boyle
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2020/02/11
Re: [OpenBabel-Devel] Docs on handling of stereo
Stefano Forli
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2020/02/09
Re: [OpenBabel-Devel] Docs on handling of stereo
Noel O'Boyle
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2020/02/06
Re: [OpenBabel-Devel] Docs on handling of stereo
Noel O'Boyle
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2020/02/05
Re: [OpenBabel-Devel] Docs on handling of stereo
Stefano Forli
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2020/02/05
Re: [OpenBabel-Devel] Docs on handling of stereo
Geoffrey Hutchison
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2020/02/05
Re: [OpenBabel-Devel] Problem with reading the Gaussian G4 calculations
Geoffrey Hutchison
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2020/02/05
[OpenBabel-Devel] Problem with reading the Gaussian G4 calculations
Mohammad Mehdi Ghahremanpour
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2020/02/05
[OpenBabel-Devel] Docs on handling of stereo
Noel O'Boyle
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2020/01/10
Re: [OpenBabel-Devel] Why are there plugins?
Noel O'Boyle
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2020/01/08
Re: [OpenBabel-Devel] Why are there plugins?
Geoffrey Hutchison
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2020/01/08
Re: [OpenBabel-Devel] Why are there plugins?
David van der Spoel
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2020/01/08
Re: [OpenBabel-Devel] Why are there plugins?
Michael Banck
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2020/01/08
Re: [OpenBabel-Devel] Why are there plugins?
Noel O'Boyle
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2020/01/08
[OpenBabel-Devel] Why are there plugins?
David van der Spoel
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2019/11/26
Re: [OpenBabel-Devel] Hydrogen management bug
Noel O'Boyle
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2019/11/26
Re: [OpenBabel-Devel] Hydrogen management bug
David van der Spoel
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2019/11/26
Re: [OpenBabel-Devel] Hydrogen management bug
Noel O'Boyle
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2019/11/26
Re: [OpenBabel-Devel] Hydrogen management bug
David van der Spoel
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2019/11/26
Re: [OpenBabel-Devel] Hydrogen management bug
Noel O'Boyle
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2019/11/26
Re: [OpenBabel-Devel] Hydrogen management bug
David van der Spoel
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2019/11/26
Re: [OpenBabel-Devel] Hydrogen management bug
Noel O'Boyle
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2019/11/25
[OpenBabel-Devel] Hydrogen management bug
David van der Spoel
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2019/11/24
Re: [OpenBabel-Devel] fatal error: 'maeparser/Writer.hpp' file not found
Mohammad Ghahremanpour
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2019/11/24
Re: [OpenBabel-Devel] fatal error: 'maeparser/Writer.hpp' file not found
Geoffrey Hutchison
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2019/11/24
[OpenBabel-Devel] fatal error: 'maeparser/Writer.hpp' file not found
Mohammad Ghahremanpour
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2019/11/14
[OpenBabel-Devel] cmake configuration
Koes, David
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2019/11/02
Re: [OpenBabel-Devel] [AMBER] PDB CONECT issues with OpenBabel 3.0 and antechamber from Elvis Martis on 2019-10-10 (Amber Archive Oct 2019)
Koes, David
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2019/11/02
Re: [OpenBabel-Devel] [AMBER] PDB CONECT issues with OpenBabel 3.0 and antechamber from Elvis Martis on 2019-10-10 (Amber Archive Oct 2019)
Noel O'Boyle
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2019/10/31
[OpenBabel-Devel] FindForceField returns nullptr
David van der Spoel
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2019/10/24
Re: [OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released
Maciek Wójcikowski
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2019/10/24
Re: [OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released
Noel O'Boyle
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2019/10/24
[OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released
Geoffrey Hutchison
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2019/10/23
Re: [OpenBabel-Devel] 3.0 release?
Noel O'Boyle
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2019/10/23
Re: [OpenBabel-Devel] 3.0 release?
Geoffrey Hutchison
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2019/10/22
Re: [OpenBabel-Devel] 3.0 release?
Noel O'Boyle
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2019/10/19
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
Geoffrey Hutchison
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2019/10/19
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
David van der Spoel
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2019/10/18
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
Geoffrey Hutchison
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2019/10/18
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
Geoffrey Hutchison
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2019/10/18
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
Noel O'Boyle
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2019/10/18
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
David van der Spoel
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2019/10/18
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
Noel O'Boyle
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2019/10/18
Re: [OpenBabel-Devel] Algorithm for FF atomtypes
Stefano Forli
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2019/10/18
[OpenBabel-Devel] Algorithm for FF atomtypes
David van der Spoel
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2019/10/15
Re: [OpenBabel-Devel] 3.0 release?
Noel O'Boyle
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2019/10/10
Re: [OpenBabel-Devel] 3.0 release?
Noel O'Boyle
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2019/10/08
Re: [OpenBabel-Devel] 3.0 release?
Geoffrey Hutchison
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2019/10/08
Re: [OpenBabel-Devel] 3.0 release?
Noel O'Boyle
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2019/10/05
Re: [OpenBabel-Devel] 3.0 release?
Geoffrey Hutchison
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2019/10/05
Re: [OpenBabel-Devel] 3.0 release?
Noel O'Boyle
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2019/10/04
Re: [OpenBabel-Devel] Visual studio version
Geoffrey Hutchison
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2019/10/04
[OpenBabel-Devel] 3.0 release?
Geoffrey Hutchison
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2019/10/04
[OpenBabel-Devel] Visual studio version
Michel
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2019/10/02
[OpenBabel-Devel] Packaging 3.0.0a2
Geoffrey Hutchison
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2019/09/23
Re: [OpenBabel-Devel] [Open Babel] Default force field option for --gen3d
Geoffrey Hutchison
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2019/09/22
Re: [OpenBabel-Devel] Default force field option for --gen3d
Stefano Forli
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2019/09/22
[OpenBabel-Devel] Default force field option for --gen3d
Geoffrey Hutchison
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2019/09/20
Re: [OpenBabel-Devel] Docker files...
Patrick Lorton
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2019/09/20
Re: [OpenBabel-Devel] Docker files...
Dominik 'Rathann' Mierzejewski
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2019/09/17
Re: [OpenBabel-Devel] Docker files...
Patrick Lorton
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2019/09/17
Re: [OpenBabel-Devel] Docker files...
Noel O'Boyle
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2019/09/17
Re: [OpenBabel-Devel] Docker files...
Patrick Lorton
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2019/09/14
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Noel O'Boyle
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2019/09/14
Re: [OpenBabel-Devel] 3.0.0alpha 1
Geoffrey Hutchison
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2019/09/14
Re: [OpenBabel-Devel] 3.0.0alpha 1
Noel O'Boyle
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2019/09/14
[OpenBabel-Devel] 3.0.0alpha 1
Geoffrey Hutchison
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2019/09/13
Re: [OpenBabel-Devel] Docker files...
Patrick Lorton
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2019/09/13
Re: [OpenBabel-Devel] Docker files...
Geoffrey Hutchison
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2019/09/12
Re: [OpenBabel-Devel] Source release
Noel O'Boyle
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2019/09/12
Re: [OpenBabel-Devel] Source release
Geoffrey Hutchison
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2019/09/12
[OpenBabel-Devel] Source release
Noel O'Boyle
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2019/09/11
Re: [OpenBabel-Devel] C++11 requirement for 3.0 release (and going forward)?
Geoffrey Hutchison
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2019/09/11
Re: [OpenBabel-Devel] C++11 requirement for 3.0 release (and going forward)?
Patrick Lorton
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2019/09/11
Re: [OpenBabel-Devel] C++11 requirement for 3.0 release (and going forward)?
Dominik 'Rathann' Mierzejewski
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2019/09/11
Re: [OpenBabel-Devel] C++11 requirement for 3.0 release (and going forward)?
David van der Spoel
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2019/09/11
[OpenBabel-Devel] C++11 requirement for 3.0 release (and going forward)?
Geoffrey Hutchison
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2019/09/09
[OpenBabel-Devel] Open Babel 3.0.0a1 tagged
Noel O'Boyle
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2019/09/06
Re: [OpenBabel-Devel] Release Schedule
Maciek Wójcikowski
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2019/09/06
Re: [OpenBabel-Devel] Release Schedule
Geoffrey Hutchison
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2019/09/06
Re: [OpenBabel-Devel] Release Schedule
Geoffrey Hutchison
-
2019/09/06
Re: [OpenBabel-Devel] Release Schedule
Noel O'Boyle
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2019/09/06
Re: [OpenBabel-Devel] Release Schedule
Patrick Lorton
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2019/09/06
[OpenBabel-Devel] Release Schedule
Noel O'Boyle
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2019/08/02
Re: [OpenBabel-Devel] PDB files with multiple bonds via CONECT
Noel O'Boyle
-
2019/07/30
[OpenBabel-Devel] Bond Order perception (was PDB files with multiple bonds via CONECT)
Geoffrey Hutchison
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2019/07/29
Re: [OpenBabel-Devel] [Open Babel] PDB files with multiple bonds via CONECT
Stefano Forli
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2019/07/29
Re: [OpenBabel-Devel] PDB files with multiple bonds via CONECT
David Koes
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2019/07/29
Re: [OpenBabel-Devel] PDB files with multiple bonds via CONECT
David van der Spoel
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2019/07/29
[OpenBabel-Devel] PDB files with multiple bonds via CONECT
Geoffrey Hutchison
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2019/06/25
Re: [OpenBabel-Devel] Stereochemistry check using InChIKey
Noel O'Boyle
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2019/06/21
[OpenBabel-Devel] Stereochemistry check using InChIKey
Naruki Yoshikawa
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2019/06/11
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
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2019/06/11
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Koes, David
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2019/06/11
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Koes, David
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2019/06/11
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
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2019/06/11
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Geoffrey Hutchison
-
2019/06/11
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
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2019/06/11
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Noel O'Boyle
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2019/06/10
[OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
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2019/05/07
[OpenBabel-Devel] GSoC 2019 project introduction
Naruki Yoshikawa
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2019/04/22
[OpenBabel-Devel] Removal of babel
Noel O'Boyle
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2019/04/22
[OpenBabel-Devel] Atom and bond manipulation
Noel O'Boyle
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2019/03/17
Re: [OpenBabel-Devel] Towards a release
Noel O'Boyle
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2019/03/07
Re: [OpenBabel-Devel] Towards a release
Geoffrey Hutchison
-
2019/03/07
[OpenBabel-Devel] Towards a release
Noel O'Boyle
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2019/03/02
[OpenBabel-Devel] Depict molecule on qt
jmsuarez
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2018/11/12
Re: [OpenBabel-Devel] Need for a stop-gap 2.4.2 release.
Michael Banck
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2018/10/16
Re: [OpenBabel-Devel] Getting corresponding bonds and angles from two molecules
Naruki Yoshikawa
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2018/10/14
Re: [OpenBabel-Devel] Getting corresponding bonds and angles from two molecules
Koes, David
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2018/10/14
[OpenBabel-Devel] Getting corresponding bonds and angles from two molecules
Naruki Yoshikawa
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2018/10/01
Re: [OpenBabel-Devel] Can not find force field
David van der Spoel
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2018/10/01
Re: [OpenBabel-Devel] Can not find force field
Geoffrey Hutchison
-
2018/09/30
[OpenBabel-Devel] Can not find force field
David van der Spoel
-
2018/09/25
[OpenBabel-Devel] Regarding the use of openbabel API
Anas Khan
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2018/09/06
Re: [OpenBabel-Devel] OBOp
Noel O'Boyle
-
2018/09/05
Re: [OpenBabel-Devel] OBOp
Geoffrey Hutchison
-
2018/09/05
[OpenBabel-Devel] OBOp
jmsuarez
-
2018/09/04
Re: [OpenBabel-Devel] From string to stringstream
Geoffrey Hutchison
-
2018/09/03
[OpenBabel-Devel] From string to stringstream
jss193 via OpenBabel-Devel
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2018/08/29
Re: [OpenBabel-Devel] GSoC project completion
Noel O'Boyle
-
2018/08/28
Re: [OpenBabel-Devel] OpenBabel-Devel Digest, Vol 142, Issue 4
TJ O'Donnell
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2018/08/28
Re: [OpenBabel-Devel] OBabel in QtCreator
Geoffrey Hutchison
-
2018/08/27
[OpenBabel-Devel] OBabel in QtCreator
jss193 via OpenBabel-Devel
-
2018/08/24
[OpenBabel-Devel] GSoC project completion
Naruki Yoshikawa
-
2018/08/10
Re: [OpenBabel-Devel] Failing master
Geoffrey Hutchison
-
2018/08/09
[OpenBabel-Devel] Failing master
Noel O'Boyle
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2018/07/20
Re: [OpenBabel-Devel] Proposal to remove "Unset" functions for flags
Koes, David
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2018/07/20
[OpenBabel-Devel] Proposal to remove "Unset" functions for flags
Noel O'Boyle
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2018/07/16
[OpenBabel-Devel] Protein PDB to PDBQT format (+ PDBQ
sherron via OpenBabel-Devel
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2018/07/01
Re: [OpenBabel-Devel] Getting rid of all warnings
Geoffrey Hutchison
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2018/07/01
[OpenBabel-Devel] Getting rid of all warnings
David van der Spoel
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2018/06/29
Re: [OpenBabel-Devel] does OpenBabel support HIPEigen?
Eugen Leitl