openbabel-devel
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2012/09/19
[OpenBabel-Devel] [ openbabel-Bugs-3569873 ] SVG with atom indices causes segfault
SourceForge . net
2012/09/19
[OpenBabel-Devel] [ openbabel-Bugs-3569548 ] gen3D fails on some molecules
SourceForge . net
2012/09/18
[OpenBabel-Devel] [ openbabel-Bugs-3568884 ] Segmentation fault when converting with java bindings
SourceForge . net
2012/09/18
[OpenBabel-Devel] [ openbabel-Bugs-3568854 ] JNI wrong and missing method signatures
SourceForge . net
2012/09/18
[OpenBabel-Devel] [ openbabel-Bugs-3568825 ] gen2D fails almost always in java
SourceForge . net
2012/09/09
[OpenBabel-Devel] [ openbabel-File Format Support-3566057 ] tadacip cipla
SourceForge . net
2012/09/06
[OpenBabel-Devel] [ openbabel-Bugs-3565287 ] Use of OBPairTemplate causes linking error
SourceForge . net
2012/09/06
[OpenBabel-Devel] [ openbabel-Bugs-3565280 ] Crash reading G03 in beta symmetry pushback
SourceForge . net
2012/09/06
[OpenBabel-Devel] Warnings in distgeom.cpp
Noel O'Boyle
2012/09/04
[OpenBabel-Devel] [ openbabel-Bugs-3564721 ] S(C)(C)C not correctly interpreted by SMILES reader
SourceForge . net
2012/09/03
Re: [OpenBabel-Devel] InChI library and Windows
Marcus D. Hanwell
2012/09/03
Re: [OpenBabel-Devel] InChI library and Windows
Marcus D. Hanwell
2012/09/03
Re: [OpenBabel-Devel] New 2.3.2 Release
Geoffrey Hutchison
2012/09/03
[OpenBabel-Devel] InChI library and Windows
Marcus D. Hanwell
2012/09/03
Re: [OpenBabel-Devel] New 2.3.2 Release
Noel O'Boyle
2012/09/02
Re: [OpenBabel-Devel] Upgrading SourceForge, Git Migration
Geoff Hutchison
2012/09/02
Re: [OpenBabel-Devel] Upgrading SourceForge, Git Migration
Chris Morley
2012/09/02
Re: [OpenBabel-Devel] New 2.3.2 Release
Chris Morley
2012/09/02
[OpenBabel-Devel] Upgrading SourceForge, Git Migration
Geoffrey Hutchison
2012/09/02
[OpenBabel-Devel] New 2.3.2 Release
Geoffrey Hutchison
2012/08/31
Re: [OpenBabel-Devel] r4990 breaks things
Noel O'Boyle
2012/08/31
[OpenBabel-Devel] [ openbabel-Bugs-3563816 ] pH model term for azide removes a N
SourceForge . net
2012/08/31
[OpenBabel-Devel] [ openbabel-File Format Support-3563674 ] paxil lawsuit
SourceForge . net
2012/08/31
[OpenBabel-Devel] [ openbabel-Bugs-3563670 ] Error reading gaussian g09 file
SourceForge . net
2012/08/29
Re: [OpenBabel-Devel] r4990 breaks things
Tim Vandermeersch
2012/08/29
Re: [OpenBabel-Devel] r4990 breaks things
benoit-leblanc
2012/08/28
[OpenBabel-Devel] [ openbabel-Patches-3562574 ] pYqYbV <a href="http://packwznizxve.com/">packwznizxve</a>,
SourceForge . net
2012/08/27
Re: [OpenBabel-Devel] r4990 breaks things
Tim Vandermeersch
2012/08/27
Re: [OpenBabel-Devel] r4990 breaks things
My Th
2012/08/27
Re: [OpenBabel-Devel] r4990 breaks things
Tim Vandermeersch
2012/08/27
[OpenBabel-Devel] r4990 breaks things
My Th
2012/08/21
Re: [OpenBabel-Devel] ConformerSearch
Geoffrey Hutchison
2012/08/18
[OpenBabel-Devel] Openbabel Unsatisfied Link Error on Java
ozgunbursali
2012/08/16
[OpenBabel-Devel] [ openbabel-Patches-3558444 ] mLTNwJQJEbSHwbISqb
SourceForge . net
2012/08/15
[OpenBabel-Devel] [ openbabel-Bugs-3557898 ] charge wrongly calculated
SourceForge . net
2012/08/12
[OpenBabel-Devel] [ openbabel-Bugs-3556863 ] eigen2 + trunk or 2.3.1
SourceForge . net
2012/08/09
[OpenBabel-Devel] [ openbabel-File Format Support-3555604 ] finpecia wiki
SourceForge . net
2012/07/28
[OpenBabel-Devel] [ openbabel-Bugs-3550987 ] Problems building perl bindings MacOSX 10.8
SourceForge . net
2012/07/27
[OpenBabel-Devel] [ openbabel-Bugs-3550066 ] sdf to smi conversion - aromaticity of rings fails
SourceForge . net
2012/07/23
[OpenBabel-Devel] [ openbabel-Bugs-3547733 ] make3D failing with some metals
SourceForge . net
2012/07/23
Re: [OpenBabel-Devel] Problem with fingerprint screened substructure search
Tim Vandermeersch
2012/07/23
Re: [OpenBabel-Devel] Problem with fingerprint screened substructure search
Chris Morley
2012/07/23
[OpenBabel-Devel] [ openbabel-Bugs-3547594 ] SVG file creation
SourceForge . net
2012/07/22
Re: [OpenBabel-Devel] Problem with fingerprint screened substructure search
Tim Vandermeersch
2012/07/22
[OpenBabel-Devel] Problem with fingerprint screened substructure search
Tim Vandermeersch
2012/07/22
[OpenBabel-Devel] [ openbabel-Patches-3547317 ] xd15Af <a href="http://dnruuobgsxdv.com/">dnruuobgsxdv</a>,
SourceForge . net
2012/07/22
[OpenBabel-Devel] [ openbabel-File Format Support-3547233 ] 4wwUYP <a href="http://iwpiaemgfmfl.com/">iwpiaemgfmfl</a>,
SourceForge . net
2012/07/19
[OpenBabel-Devel] [ openbabel-Bugs-3545867 ] perl bindings broken in 2.3/svn
SourceForge . net
2012/07/18
[OpenBabel-Devel] [ openbabel-Bugs-3545604 ] perl bindings broken in 2.3/svn
SourceForge . net
2012/07/18
Re: [OpenBabel-Devel] OpenBabel website down
Geoffrey Hutchison
2012/07/18
[OpenBabel-Devel] OpenBabel website down
Paolo Tosco
2012/07/16
[OpenBabel-Devel] [ openbabel-Bugs-3544645 ] Segfault while creation of SVG files
SourceForge . net
2012/07/14
[OpenBabel-Devel] [ openbabel-Bugs-3544142 ] segmentation fault converting mol to FT3/FP4(2.3.1)
SourceForge . net
2012/07/10
[OpenBabel-Devel] [ openbabel-Bugs-3542290 ] SDF round-trip error with explicit H atoms
SourceForge . net
2012/07/10
[OpenBabel-Devel] [PATCH] obgrep did not use the -i parameter
Björn Grüning
2012/07/05
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
ovalerio
2012/07/05
[OpenBabel-Devel] [ openbabel-Bugs-3540439 ] error in comparison of two strings in getAtomicNumber
SourceForge . net
2012/07/05
[OpenBabel-Devel] [ openbabel-Bugs-3540410 ] error in comparison of two strings in getAtomicNumber
SourceForge . net
2012/07/04
Re: [OpenBabel-Devel] 2.3.2 release
Craig James
2012/07/04
Re: [OpenBabel-Devel] 2.3.2 release
Geoff Hutchison
2012/07/04
[OpenBabel-Devel] 2.3.2 release
Chris Morley
2012/07/03
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
ovalerio
2012/07/02
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
Tim Vandermeersch
2012/07/02
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov
2012/07/01
Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.
Geoff Hutchison
2012/07/01
[OpenBabel-Devel] OpenBabel MMFF94 validation set.
ovalerio
2012/06/30
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Chris Morley
2012/06/29
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
2012/06/28
Re: [OpenBabel-Devel] Swap PNG and PNG2
Chris Morley
2012/06/26
Re: [OpenBabel-Devel] Swap PNG and PNG2
Noel O'Boyle
2012/06/25
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
2012/06/25
[OpenBabel-Devel] [ openbabel-Bugs-3537811 ] double free in rxnformat.cpp/obconversion.cpp
SourceForge . net
2012/06/25
[OpenBabel-Devel] Swap PNG and PNG2
Noel O'Boyle
2012/06/25
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Geoffrey Hutchison
2012/06/25
[OpenBabel-Devel] GUI tutorial
Noel O'Boyle
2012/06/25
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
2012/06/24
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Craig James
2012/06/24
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Geoff Hutchison
2012/06/24
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
2012/06/23
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Noel O'Boyle
2012/06/23
Re: [OpenBabel-Devel] Upcoming Release & Git migration?
Craig James
2012/06/23
Re: [OpenBabel-Devel] Upcoming Release & Git migration?
Geoffrey Hutchison
2012/06/23
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Noel O'Boyle
2012/06/23
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
2012/06/23
Re: [OpenBabel-Devel] "web" format to access the NIH Resolver.
Noel O'Boyle
2012/06/22
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
2012/06/22
[OpenBabel-Devel] "web" format to access the NIH Resolver.
Chris Morley
2012/06/22
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
2012/06/22
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
2012/06/22
[OpenBabel-Devel] [ openbabel-Bugs-3537207 ] gen2D fails on ordinary molecule
SourceForge . net
2012/06/22
[OpenBabel-Devel] [ openbabel-Bugs-3537203 ] GUI bug for display of format options
SourceForge . net
2012/06/22
Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x
Craig James
2012/06/22
Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x
Noel O'Boyle
2012/06/21
Re: [OpenBabel-Devel] New release?
Geoffrey Hutchison
2012/06/21
Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x
Noel O'Boyle
2012/06/21
[OpenBabel-Devel] New release?
Craig James
2012/06/21
Re: [OpenBabel-Devel] Bad bug? Cis/Trans in SMILES dropped in 2.3.x
Craig James
2012/06/20
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Chris Morley
2012/06/20
[OpenBabel-Devel] OpenMP and MSVC
Noel O'Boyle
2012/06/20
Re: [OpenBabel-Devel] Reactions from ChemDraw files
Igor Filippov [Contr]
2012/06/20
[OpenBabel-Devel] Reactions from ChemDraw files
Chris Morley
2012/06/19
[OpenBabel-Devel] [ openbabel-Bugs-3536321 ] Xn or vn SMARTS match for radical fails
SourceForge . net
2012/06/19
[OpenBabel-Devel] [ openbabel-Bugs-3536261 ] SMARTS matching failure
SourceForge . net
2012/06/18
[OpenBabel-Devel] [ openbabel-Bugs-3536016 ] GUI on Windows display in Firefox prob
SourceForge . net
2012/06/17
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/17
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
2012/06/16
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/16
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/16
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/14
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
2012/06/14
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
2012/06/13
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Geoffrey Hutchison
2012/06/12
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Geoff Hutchison
2012/06/12
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
2012/06/12
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/12
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
2012/06/11
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/11
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
2012/06/11
Re: [OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/11
Re: [OpenBabel-Devel] CMake and VCBuild issue
Noel O'Boyle
2012/06/11
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Geoffrey Hutchison
2012/06/11
[OpenBabel-Devel] [ openbabel-Bugs-3534267 ] Wrong JAR file in linux openbabel 2.3.1
SourceForge . net
2012/06/11
[OpenBabel-Devel] CMake and VCBuild issue
N David Brown
2012/06/11
[OpenBabel-Devel] [ openbabel-Bugs-3534201 ] obabel segfaults on misformed command line
SourceForge . net
2012/06/11
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
2012/06/11
[OpenBabel-Devel] Maven
N David Brown
2012/06/11
Re: [OpenBabel-Devel] Maven
N David Brown
2012/06/09
Re: [OpenBabel-Devel] Warning about inconsistent dll linkage introduced by r4832
Noel O'Boyle
2012/06/09
Re: [OpenBabel-Devel] Warning about inconsistent dll linkage introduced by r4832
My Th
2012/06/09
[OpenBabel-Devel] Warning about inconsistent dll linkage introduced by r4832
Noel O'Boyle
2012/06/08
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Craig James
2012/06/08
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
2012/06/08
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
2012/06/07
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
2012/06/07
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
My Th
2012/06/07
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Craig James
2012/06/07
Re: [OpenBabel-Devel] Use of stack and heap for kekulize
Geoffrey Hutchison
2012/06/07
[OpenBabel-Devel] Use of stack and heap for kekulize
My Th
2012/06/07
Re: [OpenBabel-Devel] [openababel-java.cpp] Unsatisfied Link on OBAtom.SetType
francesco
2012/06/07
[OpenBabel-Devel] [openababel-java.cpp] Unsatisfied Link on OBAtom.SetType
francesco
2012/06/06
Re: [OpenBabel-Devel] dev api generation
Noel O'Boyle
2012/06/06
[OpenBabel-Devel] dev api generation
My Th
2012/06/05
[OpenBabel-Devel] New canonicalisation options for SMILES
Noel O'Boyle
2012/06/05
[OpenBabel-Devel] [ openbabel-Bugs-3532154 ] Will not accept save path
SourceForge . net
2012/06/04
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
My Th
2012/06/04
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
Chris Morley
2012/06/03
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
Geoff Hutchison
2012/06/03
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
My Th
2012/06/02
Re: [OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
Geoff Hutchison
2012/06/01
Re: [OpenBabel-Devel] Problem with IsOption
Chris Morley
2012/06/01
[OpenBabel-Devel] Problem with IsOption
Noel O'Boyle
2012/05/31
[OpenBabel-Devel] New SMILES output options
Noel O'Boyle
2012/05/31
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Craig James
2012/05/31
Re: [OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Noel O'Boyle
2012/05/31
Re: [OpenBabel-Devel] one-line summary of obspectrophore?
Michael Banck
2012/05/31
Re: [OpenBabel-Devel] wiki vs docs
My Th
2012/05/30
Re: [OpenBabel-Devel] one-line summary of obspectrophore?
Geoff Hutchison
2012/05/30
Re: [OpenBabel-Devel] 2.3.2 release - Was Git migration?
Geoff Hutchison
2012/05/30
[OpenBabel-Devel] one-line summary of obspectrophore?
Michael Banck
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/30
[OpenBabel-Devel] [ openbabel-Bugs-3530875 ] geometry only molden files as input hang
SourceForge . net
2012/05/30
[OpenBabel-Devel] Tautomer Test vs. Canonical SMILES
Craig James
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Marcus D. Hanwell
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Geoff Hutchison
2012/05/30
[OpenBabel-Devel] 2.3.2 release - Was Git migration?
Chris Morley
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/30
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Geoff Hutchison
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
My Th
2012/05/29
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/29
Re: [OpenBabel-Devel] Git migration?
Geoff Hutchison
2012/05/29
[OpenBabel-Devel] [ openbabel-Feature Requests-3530553 ] Error and suggestions for command-line options
SourceForge . net
2012/05/28
[OpenBabel-Devel] bitvec and USE_64BIT_INTEGER
My Th
2012/05/28
Re: [OpenBabel-Devel] Patch queue, spring cleaning
My Th
2012/05/28
Re: [OpenBabel-Devel] Git migration?
My Th
2012/05/28
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
2012/05/27
[OpenBabel-Devel] [ openbabel-Patches-3530073 ] Silence -Wdelete-non-virtual-dtor
SourceForge . net
2012/05/27
[OpenBabel-Devel] [ openbabel-Patches-3530071 ] Fix possible 64bit issues
SourceForge . net
2012/05/27
[OpenBabel-Devel] [ openbabel-Patches-3530068 ] Silence -Wnarrowing
SourceForge . net
2012/05/25
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/25
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/25
Re: [OpenBabel-Devel] Failing tests for r4763 and r4766
Craig James
2012/05/25
[OpenBabel-Devel] Failing tests for r4763 and r4766
Noel O'Boyle
2012/05/25
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Chris Morley
2012/05/24
Re: [OpenBabel-Devel] Git migration?
Geoff Hutchison
2012/05/24
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Craig James
2012/05/24
Re: [OpenBabel-Devel] Aromaticity detection recomputed unnecessarily?
Tim Vandermeersch
Earlier messages
Later messages