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