Messages by Date
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2018/08/29
Re: [Open Babel] Aromatic bonds
Geoffrey Hutchison
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2018/08/29
Re: [Open Babel] Aromatic bonds
Noel O'Boyle
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2018/08/24
Re: [Open Babel] Aromatic bonds
Noel O'Boyle
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2018/08/24
Re: [Open Babel] Aromatic bonds
Geoffrey Hutchison
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2018/08/24
[Open Babel] Aromatic bonds
Don Kelsey
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2018/08/11
Re: [Open Babel] Documentation Issue
Noel O'Boyle
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2018/08/11
[Open Babel] Augmented Reality
Chris Swain via OpenBabel-discuss
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2018/08/10
Re: [Open Babel] Confab conformer search for hydrogen
Geoffrey Hutchison
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2018/08/10
Re: [Open Babel] Coding guidelines on style, standards, dependencies
Geoffrey Hutchison
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2018/08/10
[Open Babel] Documentation Issue
Nathan Jenkins
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2018/08/10
[Open Babel] Coding guidelines on style, standards, dependencies
David Toneian
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2018/08/02
Re: [Open Babel] convert several out files to hin or mol
Geoffrey Hutchison
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2018/08/02
[Open Babel] convert several out files to hin or mol
Mohammad Goodarzi
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2018/08/01
Re: [Open Babel] No supported formats listed
Groner, Rob
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2018/07/30
[Open Babel] Openbabel Installation
Takeru Hayashi
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2018/07/30
[Open Babel] Openbabel warnings
whustudent
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2018/07/27
Re: [Open Babel] No supported formats listed
Geoffrey Hutchison
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2018/07/27
[Open Babel] error in --gen3d and obminimize
yalda62
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2018/07/26
[Open Babel] No supported formats listed
Groner, Rob
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2018/07/26
[Open Babel] How to set occupancy for a protein created from scratch
Lukas Pravda
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2018/07/25
Re: [Open Babel] Openbabel and Optimize in Pymol
Tayeb Kakeshpour
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2018/07/25
[Open Babel] Openbabel and Optimize in Pymol
Renee Arias
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2018/07/20
Re: [Open Babel] Openbabel Anaconda package Python 3 support
Geoffrey Hutchison
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2018/07/20
Re: [Open Babel] Gen3d not working in .NET
Leif Peterson
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2018/07/20
[Open Babel] Openbabel Anaconda package Python 3 support
Luciano Kagami
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2018/07/20
Re: [Open Babel] Gen3d not working in .NET
Noel O'Boyle
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2018/07/19
[Open Babel] Gen3d not working in .NET
Leif Peterson
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2018/07/16
[Open Babel] Confab conformer search for hydrogen
Tayeb Kakeshpour
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2018/07/16
Re: [Open Babel] Open a large .rsmi (443 MB)
Noel O'Boyle
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2018/07/16
[Open Babel] Open a large .rsmi (443 MB)
Mirko Hu
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2018/07/16
[Open Babel] Java bindings undefined symbol: _ZTVN9OpenBabel30OBMinimizingRMSDConformerScoreE
Vinothkumar Mohanakrishnan
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2018/07/05
Re: [Open Babel] .NET: FP2 maplist is zero-based?
Noel O'Boyle
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2018/07/05
[Open Babel] .NET: FP2 maplist is zero-based?
Leif Peterson
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2018/07/04
[Open Babel] Conformer generation
Heiner Atze
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2018/07/04
[Open Babel] Conformer generation
Heiner Atze
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2018/07/03
Re: [Open Babel] Creating a Symmetric Disulfide Containing SMILES string
Benjamin Bucior
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2018/07/03
Re: [Open Babel] Creating a Symmetric Disulfide Containing SMILES string
John Michael Bruning
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2018/07/03
[Open Babel] Creating a Symmetric Disulfide Containing SMILES string
John Michael Bruning
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2018/07/02
Re: [Open Babel] Installation of Python Binding ubuntu
Noel O'Boyle
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2018/07/02
Re: [Open Babel] Java Bindings Still Not Getting Built
Matthew Lardy
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2018/07/02
Re: [Open Babel] Installation of Python Binding ubuntu
Geoffrey Hutchison
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2018/07/02
Re: [Open Babel] Installation of Python Binding ubuntu
Bilal Shaikh
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2018/07/02
Re: [Open Babel] Java Bindings Still Not Getting Built
Noel O'Boyle
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2018/07/02
[Open Babel] Java Bindings Still Not Getting Built
Matthew Lardy
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2018/07/01
[Open Babel] Failed Tests and Broken Bindings (OB 2.4.1)
Matthew Lardy
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2018/06/29
[Open Babel] Installation of Python Binding ubuntu
bill2507733
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2018/06/29
Re: [Open Babel] Issues Maintaining Bond Order Through Conversion
Dmitri Maziuk via OpenBabel-discuss
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2018/06/28
[Open Babel] Issues with a Static Compile of OB 2.4.1
mlardy
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2018/06/27
Re: [Open Babel] Issues Maintaining Bond Order Through Conversion
Geoffrey Hutchison
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2018/06/27
Re: [Open Babel] Issues Maintaining Bond Order Through Conversion
Noel O'Boyle
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2018/06/27
[Open Babel] Issues Maintaining Bond Order Through Conversion
Biruk Abreha
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2018/06/26
Re: [Open Babel] saving conformer coordinates from --confab
Tayeb Kakeshpour
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2018/06/26
Re: [Open Babel] saving conformer coordinates from --confab
Geoffrey Hutchison
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2018/06/25
Re: [Open Babel] Babel 1.05 on Android
Geoffrey Hutchison
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2018/06/25
Re: [Open Babel] Trouble converting .sdf files downloaded from PDB website
Geoffrey Hutchison
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2018/06/25
[Open Babel] Babel 1.05 on Android
Alan Liška
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2018/06/25
Re: [Open Babel] Trouble converting .sdf files downloaded from PDB website
db4
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2018/06/22
[Open Babel] saving conformer coordinates from --confab
Tayeb Kakeshpour
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2018/06/19
Re: [Open Babel] Open Babel Gasteiger partial charges and the -p option
Stefano Forli
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2018/06/19
Re: [Open Babel] Error on installing openbabel-2.4.1
Noel O'Boyle
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2018/06/19
Re: [Open Babel] Open Babel Gasteiger partial charges and the -p option
Geoffrey Hutchison
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2018/06/19
[Open Babel] H-Bond Donor detection OpenBabel / Pybel
Sebastian Salentin
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2018/06/18
Re: [Open Babel] Error on installing openbabel-2.4.1
Noel O'Boyle
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2018/06/18
[Open Babel] Error on installing openbabel-2.4.1
Yang, Chengxi
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2018/06/18
[Open Babel] Open Babel Gasteiger partial charges and the -p option
MichaelSmith
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2018/06/07
Re: [Open Babel] obfit question
John Michael Bruning
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2018/06/06
Re: [Open Babel] obfit question
Noel O'Boyle
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2018/06/06
Re: [Open Babel] RESOLVED -- OpenBabel.openbabel_csharpPINVOKE Exception (error) in .NET
Noel O'Boyle
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2018/06/06
Re: [Open Babel] obfit question
John Michael Bruning
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2018/06/06
Re: [Open Babel] obfit question
Geoffrey Hutchison
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2018/06/06
[Open Babel] obfit question
John Michael Bruning
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2018/06/06
Re: [Open Babel] Visual Studio 2015 C# Initialization Exception, .dll's are Obfuscated?
Noel O'Boyle
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2018/06/04
[Open Babel] Visual Studio 2015 C# Initialization Exception, .dll's are Obfuscated?
Leif Peterson
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2018/06/02
Re: [Open Babel] Help
Jeff Janes
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2018/06/02
[Open Babel] Help
Haddadi Kiandokht
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2018/05/24
Re: [Open Babel] Getting bond information
Dimitri Maziuk via OpenBabel-discuss
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2018/05/24
Re: [Open Babel] Getting bond information
Geoffrey Hutchison
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2018/05/24
[Open Babel] Getting bond information
Julian Kerr
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2018/05/22
Re: [Open Babel] Displaying Titles for .smi to .png conversion
Geoffrey Hutchison
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2018/05/21
[Open Babel] Displaying Titles for .smi to .png conversion
John Michael Bruning
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2018/05/18
[Open Babel] Question about src/forcefielduff.cpp
Tang, Dai
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2018/05/08
Re: [Open Babel] print UFF parameters
Geoffrey Hutchison
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2018/05/08
Re: [Open Babel] Problem of installing open-babel locally on Mac
Geoffrey Hutchison
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2018/05/08
[Open Babel] Problem of installing open-babel locally on Mac
Tang, Dai
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2018/05/06
[Open Babel] print UFF parameters
Tang, Dai
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2018/05/02
Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed
Noel O'Boyle
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2018/05/02
Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed
Noel O'Boyle
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2018/04/26
Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed
dfjk-123
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2018/04/26
Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed
Craig James
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2018/04/26
[Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed
张宝花
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2018/04/25
[Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed
dfjk-123
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2018/04/21
[Open Babel] Problem of installation OpenBabel on Cygwin
??????? ?????
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2018/04/12
Re: [Open Babel] Openbabel - 2.4.1 - Compilation error for Python Binding
Kumar Jha, Pankaj
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2018/04/07
Re: [Open Babel] Openbabel - 2.4.1 - Compilation error for Python Binding
Kumar Jha, Pankaj
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2018/04/05
Re: [Open Babel] Openbabel - 2.4.1 - Compilation error for Python Binding
Noel O'Boyle
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2018/04/05
[Open Babel] Openbabel - 2.4.1 - Compilation error for Python Binding
Kumar Jha, Pankaj
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2018/03/31
Re: [Open Babel] how to convert
Geoffrey Hutchison
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2018/03/31
[Open Babel] how to convert
Mohammad Goodarzi
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2018/03/21
[Open Babel] Suppress openbabel warnings in python
devw
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2018/03/15
Re: [Open Babel] Openbabel - 2.3.2 with gcc 6.3 Compilation error
Geoffrey Hutchison
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2018/03/14
Re: [Open Babel] Isomorphisms of Stereoisomers
Noel O'Boyle
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2018/03/13
[Open Babel] Isomorphisms of Stereoisomers
Susanne Salzmann
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2018/03/13
Re: [Open Babel] Atoms order in exported PDB
Dénes Türei
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2018/03/13
Re: [Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64
Sébastien Le Roux
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2018/03/13
Re: [Open Babel] Atoms order in exported PDB
Noel O'Boyle
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2018/03/12
Re: [Open Babel] Atoms order in exported PDB
Geoffrey Hutchison
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2018/03/12
Re: [Open Babel] Atoms order in exported PDB
Noel O'Boyle
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2018/03/12
Re: [Open Babel] Atoms order in exported PDB
Noel O'Boyle
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2018/03/10
[Open Babel] Atoms order in exported PDB
denes
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2018/03/07
Re: [Open Babel] For some g09 log files pybel.readfile throws StopIteration error
David van der Spoel
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2018/03/06
Re: [Open Babel] For some g09 log files pybel.readfile throws StopIteration error
David van der Spoel
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2018/03/06
[Open Babel] For some g09 log files pybel.readfile throws StopIteration error
spamidig
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2018/03/06
Re: [Open Babel] For some g09 log files pybel.readfile throws StopIteration error
Geoffrey Hutchison
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2018/03/05
Re: [Open Babel] For some g09 log files pybel.readfile throws StopIteration error
David van der Spoel
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2018/03/05
[Open Babel] For some g09 log files pybel.readfile throws StopIteration error
spamidig
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2018/03/01
Re: [Open Babel] Hello, I have a question for Openbabel GUI
Benjamin Bucior
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2018/03/01
[Open Babel] Hello, I have a question for Openbabel GUI
윤준곤
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2018/02/27
Re: [Open Babel] Fail to reproduce obabel --gen3d in pybel
Stefano Forli
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2018/02/24
Re: [Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64
Noel O'Boyle
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2018/02/23
Re: [Open Babel] Fail to reproduce obabel --gen3d in pybel
Xianghai Sheng
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2018/02/22
Re: [Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64
Noel O'Boyle
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2018/02/22
[Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64
Sébastien Le Roux
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2018/02/22
Re: [Open Babel] Buidling OpenBabel devel. lib for windows / msys / mingw64
Sébastien Le Roux
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2018/02/21
Re: [Open Babel] Buidling OpenBabel devel. lib for windows / msys / mingw64
Noel O'Boyle
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2018/02/21
[Open Babel] Buidling OpenBabel devel. lib for windows / msys / mingw64
Sébastien Le Roux
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2018/02/19
[Open Babel] Fail to reproduce obabel --gen3d in pybel
Xianghai Sheng
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2018/02/18
Re: [Open Babel] fastsearch <-> chemfp converter
Noel O'Boyle
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2018/02/15
Re: [Open Babel] Reading large coordinate files in C++ using Babel
Benjamin Bucior
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2018/02/15
Re: [Open Babel] Reading large coordinate files in C++ using Babel
Sébastien Le Roux
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2018/02/13
Re: [Open Babel] Reading large coordinate files in C++ using Babel
Geoffrey Hutchison
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2018/02/13
Re: [Open Babel] Reading large coordinate files in C++ using Babel
Stefano Forli
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2018/02/13
Re: [Open Babel] Problems importing pybel on Mac
Geoffrey Hutchison
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2018/02/13
[Open Babel] Problems importing pybel on Mac
Finn Maloney
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2018/02/13
[Open Babel] Reading large coordinate files in C++ using Babel
Sébastien Le Roux
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2018/02/12
Re: [Open Babel] Add hydrogen bonding water to molecule
Noel O'Boyle
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2018/02/09
[Open Babel] fastsearch <-> chemfp converter
Andrew Dalke
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2018/02/09
[Open Babel] Add hydrogen bonding water to molecule
CodyA
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2018/02/06
Re: [Open Babel] using Open Babel for virtual library generation
Stefano Forli
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2018/02/05
Re: [Open Babel] Reg: Packing openbabel along with my Java application
Noel O'Boyle
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2018/02/05
[Open Babel] Reg: Packing openbabel along with my Java application
Vinothkumar Mohanakrishnan
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2018/02/03
Re: [Open Babel] using Open Babel for virtual library generation
Noel O'Boyle
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2018/02/01
[Open Babel] Fwd: Error in file conversion
Sundar
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2018/02/01
Re: [Open Babel] using Open Babel for virtual library generation
Stefano Forli
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2018/02/01
Re: [Open Babel] using Open Babel for virtual library generation
Noel O'Boyle
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2018/01/31
Re: [Open Babel] using Open Babel for virtual library generation
Stefano Forli
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2018/01/30
Re: [Open Babel] using Open Babel for virtual library generation
Nicolas Cheron
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2018/01/30
Re: [Open Babel] using Open Babel for virtual library generation
Chris Swain
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2018/01/30
Re: [Open Babel] using Open Babel for virtual library generation
Noel O'Boyle
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2018/01/30
Re: [Open Babel] using Open Babel for virtual library generation
Benjamin Bucior
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2018/01/30
Re: [Open Babel] using Open Babel for virtual library generation
Stefano Forli
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2018/01/30
[Open Babel] using Open Babel for virtual library generation
Siavoush Dastmalchi via OpenBabel-discuss
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2018/01/29
Re: [Open Babel] Using OBPairData in python
Xianghai Sheng
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2018/01/26
[Open Babel] Error in file conversion
Sundar
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2018/01/26
Re: [Open Babel] Using OBPairData in python
Noel O'Boyle
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2018/01/26
[Open Babel] Using OBPairData in python
Xianghai Sheng
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2018/01/26
Re: [Open Babel] netcharge of a molecule
Andrew Dalke
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2018/01/25
[Open Babel] netcharge of a molecule
Sundar
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2018/01/25
Re: [Open Babel] Best way to convert pdbqt to pdb
Sundar
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2018/01/24
Re: [Open Babel] Best way to convert pdbqt to pdb
Gonzalo Nuñez
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2018/01/24
Re: [Open Babel] Best way to convert pdbqt to pdb
Geoffrey Hutchison
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2018/01/24
[Open Babel] Best way to convert pdbqt to pdb
Sundar
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2018/01/24
Re: [Open Babel] InChiKEY to SMILE
Neumann, Steffen
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2018/01/20
Re: [Open Babel] Help with generation of atom names in mol2 format
Antonio Jesus Banegas Luna
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2018/01/19
Re: [Open Babel] Canonical smiles for cis/trans species
Fredrik Wallner
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2018/01/19
Re: [Open Babel] Canonical smiles for cis/trans species
Gonzalo Nuñez
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2018/01/19
Re: [Open Babel] Help with generation of atom names in mol2 format
Maciek Wójcikowski
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2018/01/18
Re: [Open Babel] Canonical smiles for cis/trans species
Dimitri Maziuk
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2018/01/18
[Open Babel] Help with generation of atom names in mol2 format
Antonio Jesus Banegas Luna
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2018/01/18
Re: [Open Babel] Canonical smiles for cis/trans species
murat keçeli
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2018/01/18
Re: [Open Babel] Canonical smiles for cis/trans species
Noel O'Boyle
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2018/01/18
Re: [Open Babel] Canonical smiles for cis/trans species
Gonzalo Nuñez
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2018/01/18
Re: [Open Babel] Canonical smiles for cis/trans species
Gonzalo Nuñez
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2018/01/17
Re: [Open Babel] Canonical smiles for cis/trans species
murat keçeli
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2018/01/17
Re: [Open Babel] Issue
Noel O'Boyle
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2018/01/16
Re: [Open Babel] Issue
Fredrik Wallner
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2018/01/16
Re: [Open Babel] Canonical smiles for cis/trans species
Fredrik Wallner
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2018/01/16
[Open Babel] Canonical smiles for cis/trans species
murat keçeli
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2018/01/15
Re: [Open Babel] Issue
Fredrik Wallner
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2018/01/14
[Open Babel] Issue
Jose manuel Suarez Sierra
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2018/01/07
Re: [Open Babel] Openbabel installation on virtual envirnment
Noel O'Boyle
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2018/01/06
Re: [Open Babel] Openbabel installation on virtual envirnment
Noel O'Boyle
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2018/01/06
Re: [Open Babel] Not able to use Pybel
Noel O'Boyle
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2018/01/06
[Open Babel] Openbabel installation on virtual envirnment
jaidev joshi
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2018/01/05
[Open Babel] Not able to use Pybel
Abhishek Gupta
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2018/01/05
Re: [Open Babel] Open Babel Descriptors
Noel O'Boyle
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2018/01/05
[Open Babel] Open Babel Descriptors
Andrew Lang
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2018/01/01
[Open Babel] Just FYI
Chris Swain
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2017/12/28
Re: [Open Babel] naming of pictures
Geoffrey Hutchison
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2017/12/28
[Open Babel] naming of pictures
Jiří Vedral
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2017/12/20
Re: [Open Babel] Reg: Conformer Search Write Conformers as SDF File
Vinothkumar Mohanakrishnan
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2017/12/20
Re: [Open Babel] Reg: Conformer Search Write Conformers as SDF File
Noel O'Boyle
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2017/12/20
[Open Babel] Reg: Conformer Search Write Conformers as SDF File
Vinothkumar Mohanakrishnan
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2017/12/06
Re: [Open Babel] Aromaticity
Noel O'Boyle
-
2017/12/04
Re: [Open Babel] Aromaticity
Sundar
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2017/12/04
Re: [Open Babel] Aromaticity
Craig James
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2017/12/04
Re: [Open Babel] Aromaticity
Noel O'Boyle
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2017/12/03
Re: [Open Babel] Obabel warning while pdb to sdf conversion
Noel O'Boyle
-
2017/12/01
[Open Babel] Obabel warning while pdb to sdf conversion
Sundar
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2017/11/30
[Open Babel] Aromaticity
Sundar
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2017/11/28
[Open Babel] ORIGINAL Passport, Driving License, (toefliets...@yahoo.com
toefl1