openbabel-devel
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2010/08/24
Re: [OpenBabel-Devel] Trunk doesn't compile
Geoffrey Hutchison
2010/08/24
[OpenBabel-Devel] Trunk doesn't compile
David Lonie
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Noel O'Boyle
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Noel O'Boyle
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Craig A. James
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Noel O'Boyle
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Chris Morley
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Chris Morley
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Noel O'Boyle
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Noel O'Boyle
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Tim Vandermeersch
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Igor Filippov
2010/08/23
Re: [OpenBabel-Devel] Making wedge and hash bonds
Tim Vandermeersch
2010/08/23
[OpenBabel-Devel] Making wedge and hash bonds
Chris Morley
2010/08/20
[OpenBabel-Devel] Confab
Noel O'Boyle
2010/08/19
[OpenBabel-Devel] [ openbabel-Bugs-3048959 ] Unknown space group error
SourceForge.net
2010/08/19
[OpenBabel-Devel] [ openbabel-Bugs-3048758 ] Gzipped Mol2 format very slow due to use of seekg
SourceForge.net
2010/08/16
[OpenBabel-Devel] Fwd: .dll loading on Windows and Python
Noel O'Boyle
2010/08/16
[OpenBabel-Devel] .dll loading on Windows and Python
Noel O'Boyle
2010/08/16
[OpenBabel-Devel] OBConformerFilter warning
Noel O'Boyle
2010/08/16
[OpenBabel-Devel] [ openbabel-Bugs-3046151 ] locale issue
SourceForge.net
2010/08/13
Re: [OpenBabel-Devel] Adding hydrogen
Alex Henderson
2010/08/13
Re: [OpenBabel-Devel] Adding hydrogen
Noel O'Boyle
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Chris Morley
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Tim Vandermeersch
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Geoffrey Hutchison
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Igor Filippov [Contr]
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Geoffrey Hutchison
2010/08/12
Re: [OpenBabel-Devel] OBRandom
David Osguthorpe
2010/08/12
Re: [OpenBabel-Devel] OBRandom
Geoffrey Hutchison
2010/08/12
Re: [OpenBabel-Devel] OBRandom
David Lonie
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Noel O'Boyle
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Alex Henderson
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Noel O'Boyle
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Noel O'Boyle
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Noel O'Boyle
2010/08/12
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Konstantin Tokarev
2010/08/12
Re: [OpenBabel-Devel] OBRandom
Noel O'Boyle
2010/08/11
Re: [OpenBabel-Devel] OBRandom
Geoffrey Hutchison
2010/08/11
Re: [OpenBabel-Devel] OBRandom
David Lonie
2010/08/11
[OpenBabel-Devel] OBRandom
Tim Vandermeersch
2010/08/11
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Chris Morley
2010/08/11
Re: [OpenBabel-Devel] Definition of OBMol::_energy
Geoffrey Hutchison
2010/08/11
Re: [OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Konstantin Tokarev
2010/08/11
[OpenBabel-Devel] C++ guru question about handling pointers in a copy constructor
Noel O'Boyle
2010/08/11
Re: [OpenBabel-Devel] Definition of OBMol::_energy
David Lonie
2010/08/11
[OpenBabel-Devel] Definition of OBMol::_energy
Chris Morley
2010/08/11
Re: [OpenBabel-Devel] Adding hydrogen
Noel O'Boyle
2010/08/10
[OpenBabel-Devel] [ openbabel-Bugs-3042683 ] gzmat giving wrong bond lengths
SourceForge.net
2010/08/10
[OpenBabel-Devel] Adding hydrogen
Alex Henderson
2010/08/10
[OpenBabel-Devel] [ openbabel-Bugs-3042645 ] chiral smiles may cause memory corruption
SourceForge.net
2010/08/10
Re: [OpenBabel-Devel] Remove symmetric rotors
Noel O'Boyle
2010/08/10
Re: [OpenBabel-Devel] Remove symmetric rotors
Geoffrey Hutchison
2010/08/10
Re: [OpenBabel-Devel] Remove symmetric rotors
Noel O'Boyle
2010/08/10
Re: [OpenBabel-Devel] Remove symmetric rotors
Tim Vandermeersch
2010/08/10
[OpenBabel-Devel] Remove symmetric rotors
Noel O'Boyle
2010/08/09
[OpenBabel-Devel] obabel and babel docs
Noel O'Boyle
2010/08/09
[OpenBabel-Devel] [ openbabel-Bugs-3041950 ] smarts pattern matcher fails
SourceForge.net
2010/08/08
[OpenBabel-Devel] [ openbabel-Bugs-3041650 ] 2D coordinate generation somfaulty with disconnected species
SourceForge.net
2010/08/05
Re: [OpenBabel-Devel] [OpenBabel-Updates] SF.net SVN: openbabel:[3949] openbabel/trunk/src/isomorphism.cpp
Geoffrey Hutchison
2010/08/05
[OpenBabel-Devel] [ openbabel-Feature Requests-3040027 ] Thread-safe SMARTS matching (patch provided)
SourceForge.net
2010/08/04
Re: [OpenBabel-Devel] 2.3 Release Date
Geoffrey Hutchison
2010/08/04
Re: [OpenBabel-Devel] 2.3 Release Date
Noel O'Boyle
2010/08/04
Re: [OpenBabel-Devel] 2.3 Release Date
Igor Filippov [Contr]
2010/08/04
[OpenBabel-Devel] New documentation
Noel O'Boyle
2010/08/04
[OpenBabel-Devel] Silicos NV releases Sieve v3 under GNU GPL version 2
Hans De Winter
2010/08/03
Re: [OpenBabel-Devel] [Open Babel] Latest Snapshot (was segmentation fault in OBBuilder.Build())
Geoffrey Hutchison
2010/08/03
Re: [OpenBabel-Devel] 2.3 Release Date
Geoffrey Hutchison
2010/08/03
[OpenBabel-Devel] Release Date
Tim Vandermeersch
2010/08/03
Re: [OpenBabel-Devel] [Open Babel] segmentation fault in OBBuilder.Build()
Noel O'Boyle
2010/08/02
[OpenBabel-Devel] [ openbabel-Bugs-3038634 ] buglet in trunk openbabel/scripts/CMakeListst.txt
SourceForge.net
2010/08/02
[OpenBabel-Devel] [ openbabel-Bugs-3038282 ] GUI recently stopped showing up
SourceForge.net
2010/08/01
Re: [OpenBabel-Devel] OBForceField not changing initial atom positions
N David Brown
2010/08/01
Re: [OpenBabel-Devel] OBForceField not changing initial atom positions
Geoffrey Hutchison
2010/08/01
Re: [OpenBabel-Devel] OBForceField not changing initial atom positions
N David Brown
2010/07/31
Re: [OpenBabel-Devel] OBForceField not changing initial atom positions
N David Brown
2010/07/31
Re: [OpenBabel-Devel] OBForceField not changing initial atom positions
N David Brown
2010/07/31
Re: [OpenBabel-Devel] OBForceField not changing initial atom positions
Tim Vandermeersch
2010/07/31
Re: [OpenBabel-Devel] OBForceField not changing initial atom positions
N David Brown
2010/07/31
[OpenBabel-Devel] OBForceField not changing initial atom positions
N David Brown
2010/07/30
Re: [OpenBabel-Devel] Quick Reference Documentation
Craig A. James
2010/07/30
Re: [OpenBabel-Devel] Quick Reference Documentation
David Lonie
2010/07/30
Re: [OpenBabel-Devel] Quick Reference Documentation
Tim Vandermeersch
2010/07/30
Re: [OpenBabel-Devel] Quick Reference Documentation
David Lonie
2010/07/30
Re: [OpenBabel-Devel] [Open Babel] segmentation fault in OBBuilder.Build()
Martin Guetlein
2010/07/29
Re: [OpenBabel-Devel] Buildertest failure since 13th July
Noel O'Boyle
2010/07/28
Re: [OpenBabel-Devel] Buildertest failure since 13th July
Geoffrey Hutchison
2010/07/28
Re: [OpenBabel-Devel] [Open Babel] segmentation fault in OBBuilder.Build()
Geoffrey Hutchison
2010/07/26
Re: [OpenBabel-Devel] Eigen2 optional dependency and Python wrappers
Konstantin Tokarev
2010/07/26
Re: [OpenBabel-Devel] Eigen2 optional dependency and Python wrappers
Konstantin Tokarev
2010/07/26
[OpenBabel-Devel] Eigen2 optional dependency and Python wrappers
Noel O'Boyle
2010/07/26
[OpenBabel-Devel] Buildertest failure since 13th July
Noel O'Boyle
2010/07/24
Re: [OpenBabel-Devel] Missing symbol for OBElementTable on Ubuntu but not Fedora
Konstantin Tokarev
2010/07/24
Re: [OpenBabel-Devel] Missing symbol for OBElementTable on Ubuntu but not Fedora
Geoffrey Hutchison
2010/07/24
[OpenBabel-Devel] [ openbabel-Bugs-3034025 ] mol format does not work with more than 100 atoms
SourceForge.net
2010/07/22
Re: [OpenBabel-Devel] cmlformat doesn't compile
Shlomo Katz
2010/07/22
[OpenBabel-Devel] [ openbabel-Bugs-3033204 ] Pybel doesn't support OBReaction
SourceForge.net
2010/07/22
Re: [OpenBabel-Devel] Isomorphism
Noel O'Boyle
2010/07/22
Re: [OpenBabel-Devel] Isomorphism
Tim Vandermeersch
2010/07/22
Re: [OpenBabel-Devel] cmlformat doesn't compile
Noel O'Boyle
2010/07/22
Re: [OpenBabel-Devel] OBConversion::Read() won't work on SMILES
Noel O'Boyle
2010/07/22
[OpenBabel-Devel] cmlformat doesn't compile
Shlomo Katz
2010/07/22
[OpenBabel-Devel] OBConversion::Read() won't work on SMILES
N David Brown
2010/07/22
[OpenBabel-Devel] Isomorphism
Noel O'Boyle
2010/07/19
[OpenBabel-Devel] [ openbabel-Bugs-3031481 ] segmentation fault in OBBuilder.Build()
SourceForge.net
2010/07/17
Re: [OpenBabel-Devel] New INSTALL file
Benoit Jacob
2010/07/15
[OpenBabel-Devel] Missing symbol for OBElementTable on Ubuntu but not Fedora
Craig A. James
2010/07/15
[OpenBabel-Devel] [ openbabel-Bugs-3029882 ] header file incompatible with clang c++ compiler
SourceForge.net
2010/07/15
Re: [OpenBabel-Devel] New INSTALL file
Konstantin Tokarev
2010/07/14
Re: [OpenBabel-Devel] New INSTALL file
Geoffrey Hutchison
2010/07/14
Re: [OpenBabel-Devel] New INSTALL file
Konstantin Tokarev
2010/07/14
[OpenBabel-Devel] [ openbabel-Bugs-3029478 ] Substructure serach issues
SourceForge.net
2010/07/13
[OpenBabel-Devel] Keeping chemistry out of OBConversion
Chris Morley
2010/07/13
Re: [OpenBabel-Devel] IsAmide* nomenclature in OBBond
Tim Vandermeersch
2010/07/13
Re: [OpenBabel-Devel] New INSTALL file
Geoffrey Hutchison
2010/07/13
[OpenBabel-Devel] New INSTALL file
Konstantin Tokarev
2010/07/13
[OpenBabel-Devel] IsAmide* nomenclature in OBBond
Hans De Winter
2010/07/12
Re: [OpenBabel-Devel] OBMol::FindChiralCenters() in development code
Tim Vandermeersch
2010/07/12
Re: [OpenBabel-Devel] OBMol::FindChiralCenters() in development code
Geoffrey Hutchison
2010/07/12
Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Chris Morley
2010/07/12
Re: [OpenBabel-Devel] Ring.cpp problem?
Noel O'Boyle
2010/07/12
Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Noel O'Boyle
2010/07/09
Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Tim Vandermeersch
2010/07/09
Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Chris Morley
2010/07/08
Re: [OpenBabel-Devel] Ring.cpp problem?
Geoffrey Hutchison
2010/07/08
Re: [OpenBabel-Devel] OBMol::FindChiralCenters() in development code
Tim Vandermeersch
2010/07/08
Re: [OpenBabel-Devel] OBMol::FindChiralCenters() in development code
Tim Vandermeersch
2010/07/08
[OpenBabel-Devel] OBMol::FindChiralCenters() in development code
Hans De Winter
2010/07/08
Re: [OpenBabel-Devel] Ring.cpp problem?
Geoffrey Hutchison
2010/07/08
Re: [OpenBabel-Devel] Build broken on Linux
Noel O'Boyle
2010/07/08
Re: [OpenBabel-Devel] Build broken on Linux
Konstantin Tokarev
2010/07/08
Re: [OpenBabel-Devel] Build broken on Linux
Chris Morley
2010/07/08
Re: [OpenBabel-Devel] Ring.cpp problem?
Tim Vandermeersch
2010/07/08
Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Tim Vandermeersch
2010/07/08
Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Tim Vandermeersch
2010/07/08
[OpenBabel-Devel] All formats now working on Windows
Noel O'Boyle
2010/07/08
Re: [OpenBabel-Devel] Build broken on Linux
Konstantin Tokarev
2010/07/08
[OpenBabel-Devel] Build broken on Linux
Noel O'Boyle
2010/07/07
[OpenBabel-Devel] Parameters on ops
Chris Morley
2010/07/07
Re: [OpenBabel-Devel] Possibly disruptive OBDescriptor code changes - Was Properties derived from charge models - code structure?
Noel O'Boyle
2010/07/07
Re: [OpenBabel-Devel] Possibly disruptive OBDescriptor code changes - Was Properties derived from charge models - code structure?
Geoffrey Hutchison
2010/07/07
[OpenBabel-Devel] Possibly disruptive OBDescriptor code changes - Was Properties derived from charge models - code structure?
Chris Morley
2010/07/06
Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB
Andrew Dalke
2010/07/06
Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB
Geoffrey Hutchison
2010/07/06
[OpenBabel-Devel] Ring.cpp problem?
Noel O'Boyle
2010/07/06
Re: [OpenBabel-Devel] User docs
Noel O'Boyle
2010/07/06
Re: [OpenBabel-Devel] User docs
Konstantin Tokarev
2010/07/06
[OpenBabel-Devel] Memory leak
Noel O'Boyle
2010/07/06
Re: [OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Noel O'Boyle
2010/07/05
Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB
Andrew Dalke
2010/07/05
[OpenBabel-Devel] windows build fails for qeq.cpp and qtie.cpp
Tim Vandermeersch
2010/07/05
Re: [OpenBabel-Devel] Aromaticity
Tim Vandermeersch
2010/07/05
Re: [OpenBabel-Devel] User docs
Craig A. James
2010/07/05
Re: [OpenBabel-Devel] Aromaticity
Craig A. James
2010/07/05
Re: [OpenBabel-Devel] User docs
Konstantin Tokarev
2010/07/05
Re: [OpenBabel-Devel] User docs
Geoffrey Hutchison
2010/07/05
Re: [OpenBabel-Devel] User docs
Craig A. James
2010/07/05
Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB
Geoffrey Hutchison
2010/07/04
Re: [OpenBabel-Devel] User docs
Noel O'Boyle
2010/07/04
Re: [OpenBabel-Devel] User docs
Chris Morley
2010/07/04
Re: [OpenBabel-Devel] User docs
Noel O'Boyle
2010/07/04
Re: [OpenBabel-Devel] User docs
Konstantin Tokarev
2010/07/04
Re: [OpenBabel-Devel] User docs
Noel O'Boyle
2010/07/04
Re: [OpenBabel-Devel] Next OB release
Tim Vandermeersch
2010/07/04
Re: [OpenBabel-Devel] Next OB release
Marcus D. Hanwell
2010/07/03
Re: [OpenBabel-Devel] Next OB release
Geoffrey Hutchison
2010/07/03
Re: [OpenBabel-Devel] Properties derived from charge models - code structure?
Geoffrey Hutchison
2010/07/03
[OpenBabel-Devel] Fwd: Properties derived from charge models - code structure?
Geoffrey Hutchison
2010/07/03
Re: [OpenBabel-Devel] Next OB release
Noel O'Boyle
2010/07/03
[OpenBabel-Devel] Next OB release
Tim Vandermeersch
2010/07/02
Re: [OpenBabel-Devel] Aromaticity
Craig A. James
2010/07/02
[OpenBabel-Devel] Aromaticity
Tim Vandermeersch
2010/07/02
[OpenBabel-Devel] StartErrorWrap uninitialized variables
Seth Alves
2010/07/01
Re: [OpenBabel-Devel] Cross-platform library to handle commandline arguments
Chris Morley
2010/07/01
Re: [OpenBabel-Devel] How to separate conformers and optimization steps?
Konstantin Tokarev
2010/07/01
Re: [OpenBabel-Devel] Silicos: Spectrophores ported under OB
Noel O'Boyle
2010/07/01
Re: [OpenBabel-Devel] How to separate conformers and optimization steps?
Tim Vandermeersch
2010/07/01
Re: [OpenBabel-Devel] How to separate conformers and optimization steps?
Noel O'Boyle
2010/07/01
Re: [OpenBabel-Devel] How to separate conformers and optimization steps?
Tim Vandermeersch
2010/07/01
[OpenBabel-Devel] How to separate conformers and optimization steps?
Konstantin Tokarev
2010/07/01
Re: [OpenBabel-Devel] Alignment
Konstantin Tokarev
2010/07/01
Re: [OpenBabel-Devel] Alignment
Tim Vandermeersch
2010/07/01
Re: [OpenBabel-Devel] Alignment
Noel O'Boyle
2010/07/01
Re: [OpenBabel-Devel] Alignment
Tim Vandermeersch
2010/07/01
[OpenBabel-Devel] UFF test now failing since Tuesday
Noel O'Boyle
2010/07/01
[OpenBabel-Devel] New macro OB_VERSION_CHECK
Konstantin Tokarev
2010/07/01
Re: [OpenBabel-Devel] User docs
Noel O'Boyle
2010/07/01
Re: [OpenBabel-Devel] Alignment
Noel O'Boyle
2010/07/01
[OpenBabel-Devel] Silicos: Spectrophores ported under OB
Hans De Winter
2010/06/30
Re: [OpenBabel-Devel] User docs
Chris Morley
2010/06/30
Re: [OpenBabel-Devel] Alignment
Geoffrey Hutchison
2010/06/30
Re: [OpenBabel-Devel] Alignment
Dominik 'Rathann' Mierzejewski
2010/06/30
Re: [OpenBabel-Devel] Cross-platform library to handle commandline arguments
Tim Vandermeersch
2010/06/30
[OpenBabel-Devel] Alignment
Noel O'Boyle
2010/06/30
Re: [OpenBabel-Devel] Cross-platform library to handle commandline arguments
Geoffrey Hutchison
2010/06/30
Re: [OpenBabel-Devel] Cross-platform library to handle commandline arguments
Konstantin Tokarev
2010/06/30
Re: [OpenBabel-Devel] Cross-platform library to handle commandline arguments
Noel O'Boyle
2010/06/30
[OpenBabel-Devel] Cross-platform library to handle commandline arguments
Tim Vandermeersch
2010/06/30
Re: [OpenBabel-Devel] User docs
Noel O'Boyle
2010/06/30
Re: [OpenBabel-Devel] User docs
Geoffrey Hutchison
Earlier messages
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