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[OpenBabel-Devel] Upgrading SourceForge, Git Migration
Geoffrey Hutchison
Re: [OpenBabel-Devel] Upgrading SourceForge, Git Migration
Chris Morley
Re: [OpenBabel-Devel] Upgrading SourceForge, Git Migration
Geoff Hutchison
[OpenBabel-Devel] New 2.3.2 Release
Geoffrey Hutchison
Re: [OpenBabel-Devel] New 2.3.2 Release
Chris Morley
Re: [OpenBabel-Devel] New 2.3.2 Release
Noel O'Boyle
Re: [OpenBabel-Devel] New 2.3.2 Release
Geoffrey Hutchison
[OpenBabel-Devel] [ openbabel-Bugs-3563816 ] pH model term for azide removes a N
SourceForge . net
[OpenBabel-Devel] [ openbabel-File Format Support-3563674 ] paxil lawsuit
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3563670 ] Error reading gaussian g09 file
SourceForge . net
[OpenBabel-Devel] [ openbabel-Patches-3562574 ] pYqYbV <a href="http://packwznizxve.com/">packwznizxve</a>,
SourceForge . net
[OpenBabel-Devel] r4990 breaks things
My Th
Re: [OpenBabel-Devel] r4990 breaks things
Tim Vandermeersch
Re: [OpenBabel-Devel] r4990 breaks things
My Th
Re: [OpenBabel-Devel] r4990 breaks things
Tim Vandermeersch
Re: [OpenBabel-Devel] r4990 breaks things
benoit-leblanc
Re: [OpenBabel-Devel] r4990 breaks things
Tim Vandermeersch
Re: [OpenBabel-Devel] r4990 breaks things
Noel O'Boyle
Re: [OpenBabel-Devel] ConformerSearch
Geoffrey Hutchison
[OpenBabel-Devel] Openbabel Unsatisfied Link Error on Java
ozgunbursali
[OpenBabel-Devel] [ openbabel-Patches-3558444 ] mLTNwJQJEbSHwbISqb
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3557898 ] charge wrongly calculated
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3556863 ] eigen2 + trunk or 2.3.1
SourceForge . net
[OpenBabel-Devel] [ openbabel-File Format Support-3555604 ] finpecia wiki
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3550987 ] Problems building perl bindings MacOSX 10.8
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3550066 ] sdf to smi conversion - aromaticity of rings fails
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3547733 ] make3D failing with some metals
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3547594 ] SVG file creation
SourceForge . net
[OpenBabel-Devel] Problem with fingerprint screened substructure search
Tim Vandermeersch
Re: [OpenBabel-Devel] Problem with fingerprint screened substructure search
Tim Vandermeersch
Re: [OpenBabel-Devel] Problem with fingerprint screened substructure search
Chris Morley
Re: [OpenBabel-Devel] Problem with fingerprint screened substructure search
Tim Vandermeersch
[OpenBabel-Devel] [ openbabel-Patches-3547317 ] xd15Af <a href="http://dnruuobgsxdv.com/">dnruuobgsxdv</a>,
SourceForge . net
[OpenBabel-Devel] [ openbabel-File Format Support-3547233 ] 4wwUYP <a href="http://iwpiaemgfmfl.com/">iwpiaemgfmfl</a>,
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3545867 ] perl bindings broken in 2.3/svn
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3545604 ] perl bindings broken in 2.3/svn
SourceForge . net
[OpenBabel-Devel] OpenBabel website down
Paolo Tosco
Re: [OpenBabel-Devel] OpenBabel website down
Geoffrey Hutchison
[OpenBabel-Devel] [ openbabel-Bugs-3544645 ] Segfault while creation of SVG files
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3544142 ] segmentation fault converting mol to FT3/FP4(2.3.1)
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3542290 ] SDF round-trip error with explicit H atoms
SourceForge . net
[OpenBabel-Devel] [PATCH] obgrep did not use the -i parameter
Björn Grüning
[OpenBabel-Devel] [ openbabel-Bugs-3540439 ] error in comparison of two strings in getAtomicNumber
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3540410 ] error in comparison of two strings in getAtomicNumber
SourceForge . net
[OpenBabel-Devel] 2.3.2 release
Chris Morley
Re: [OpenBabel-Devel] 2.3.2 release
Geoff Hutchison
Re: [OpenBabel-Devel] 2.3.2 release
Craig James
[OpenBabel-Devel] OpenBabel MMFF94 validation set.
ovalerio
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
Geoff Hutchison
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
ovalerio
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
Tim Vandermeersch
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
ovalerio
[OpenBabel-Devel] [ openbabel-Bugs-3537811 ] double free in rxnformat.cpp/obconversion.cpp
SourceForge . net
[OpenBabel-Devel] Swap PNG and PNG2
Noel O'Boyle
Re: [OpenBabel-Devel] Swap PNG and PNG2
Noel O'Boyle
Re: [OpenBabel-Devel] Swap PNG and PNG2
Chris Morley
[OpenBabel-Devel] GUI tutorial
Noel O'Boyle
[OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Noel O'Boyle
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Noel O'Boyle
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Noel O'Boyle
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Geoff Hutchison
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Craig James
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Geoffrey Hutchison
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
[OpenBabel-Devel] [ openbabel-Bugs-3537207 ] gen2D fails on ordinary molecule
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3537203 ] GUI bug for display of format options
SourceForge . net
[OpenBabel-Devel] New release?
Craig James
Re: [OpenBabel-Devel] New release?
Geoffrey Hutchison
[OpenBabel-Devel] OpenMP and MSVC
Noel O'Boyle
[OpenBabel-Devel] Reactions from ChemDraw files
Chris Morley
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Chris Morley
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Chris Morley
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov
[OpenBabel-Devel] [ openbabel-Bugs-3536321 ] Xn or vn SMARTS match for radical fails
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3536261 ] SMARTS matching failure
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3536016 ] GUI on Windows display in Firefox prob
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3534267 ] Wrong JAR file in linux openbabel 2.3.1
SourceForge . net
[OpenBabel-Devel] CMake and VCBuild issue
N David Brown
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
[OpenBabel-Devel] [ openbabel-Bugs-3534201 ] obabel segfaults on misformed command line
SourceForge . net
[OpenBabel-Devel] Maven
N David Brown
Re: [OpenBabel-Devel] Maven
N David Brown
[OpenBabel-Devel] Warning about inconsistent dll linkage introduced by r4832
Noel O'Boyle
Re: [OpenBabel-Devel] Warning about inconsistent dll linkage introduced by r4832
My Th
Re: [OpenBabel-Devel] Warning about inconsistent dll linkage introduced by r4832
Noel O'Boyle
[OpenBabel-Devel] Use of stack and heap for kekulize
My Th
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Geoffrey Hutchison
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Geoff Hutchison
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Geoffrey Hutchison
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Craig James
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
[OpenBabel-Devel] [openababel-java.cpp] Unsatisfied Link on OBAtom.SetType
francesco
Re: [OpenBabel-Devel] [openababel-java.cpp] Unsatisfied Link on OBAtom.SetType
francesco
[OpenBabel-Devel] dev api generation
My Th
Re: [OpenBabel-Devel] dev api generation
Noel O'Boyle
[OpenBabel-Devel] New canonicalisation options for SMILES
Noel O'Boyle
[OpenBabel-Devel] [ openbabel-Bugs-3532154 ] Will not accept save path
SourceForge . net
[OpenBabel-Devel] Problem with IsOption
Noel O'Boyle
Re: [OpenBabel-Devel] Problem with IsOption
Chris Morley
[OpenBabel-Devel] New SMILES output options
Noel O'Boyle
[OpenBabel-Devel] one-line summary of obspectrophore?
Michael Banck
Re: [OpenBabel-Devel] one-line summary of obspectrophore?
Geoff Hutchison
Re: [OpenBabel-Devel] wiki vs docs
My Th
Re: [OpenBabel-Devel] one-line summary of obspectrophore?
Michael Banck
[OpenBabel-Devel] [ openbabel-Bugs-3530875 ] geometry only molden files as input hang
SourceForge . net
[OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Craig James
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Craig James
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Craig James
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Geoffrey Hutchison
[OpenBabel-Devel] [ openbabel-Feature Requests-3530553 ] Error and suggestions for command-line options
SourceForge . net
[OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
My Th
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
Geoff Hutchison
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
My Th
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
Geoff Hutchison
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
Chris Morley
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
My Th
[OpenBabel-Devel] [ openbabel-Patches-3530073 ] Silence -Wdelete-non-virtual-dtor
SourceForge . net
[OpenBabel-Devel] [ openbabel-Patches-3530071 ] Fix possible 64bit issues
SourceForge . net
[OpenBabel-Devel] [ openbabel-Patches-3530068 ] Silence -Wnarrowing
SourceForge . net
[OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Geoff Hutchison
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Marcus D. Hanwell
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Geoff Hutchison
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
[OpenBabel-Devel] [ openbabel-Bugs-3529538 ] SMILES > 32767 characters silently truncated
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3529530 ] Valid SMILES rejected
SourceForge . net
[OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Craig James
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Craig James
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Noel O'Boyle
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Craig James
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Craig James
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Craig James
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Geoff Hutchison
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Tim Vandermeersch
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Craig James
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Chris Morley
[OpenBabel-Devel] [ openbabel-Bugs-3528927 ] SMILES parser loses aromaticity of fullerene
SourceForge . net
[OpenBabel-Devel] Cis/trans lost from correct SDF?
Craig James
Re: [OpenBabel-Devel] Cis/trans lost from correct SDF?
Noel O'Boyle
[OpenBabel-Devel] [ openbabel-Bugs-3528614 ] MCDL uninitialized memory error
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3528540 ] Stereo due to isotopes not supported
SourceForge . net
[OpenBabel-Devel] Bug in OBCisTransStereo?
Craig James
Re: [OpenBabel-Devel] Bug in OBCisTransStereo?
Noel O'Boyle
Re: [OpenBabel-Devel] Bug in OBCisTransStereo?
Craig James
[OpenBabel-Devel] [ openbabel-Bugs-3526933 ] Stereo lost at tet N due to N=O marked as sp2
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3526902 ] Reading some InChI radicals fails
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3526900 ] Chiral centers not always identified
SourceForge . net
[OpenBabel-Devel] [ openbabel-Bugs-3526866 ] Incorrect reading number of bonds from V2000 MOL/SDF
SourceForge . net
Re: [OpenBabel-Devel] Git migration?
David Lonie
Re: [OpenBabel-Devel] Git migration?
Igor Filippov [Contr]
Re: [OpenBabel-Devel] Git migration?
My Th
Re: [OpenBabel-Devel] Git migration?
Igor Filippov [Contr]
Earlier messages
Later messages