Messages by Date
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2011/03/14
[OpenBabel-Devel] Reading (specifically CDX) should be independent of writing, right?
A. Heifets
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2011/03/13
[OpenBabel-Devel] multicore machines
christophersw...@btconnect.com
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2011/03/11
[OpenBabel-Devel] Open Babel documentation available in book format
Noel O'Boyle
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2011/03/09
[OpenBabel-Devel] Revision of patch to fix loss of charge info
Magnus Lundborg
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2011/03/08
[OpenBabel-Devel] [ openbabel-Bugs-3203137 ] Gasteiger partial charges and the -p option
SourceForge.net
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2011/03/08
[OpenBabel-Devel] [ openbabel-Bugs-3203039 ] Formal charges lost when going from pdb to pdb
SourceForge.net
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2011/03/07
[OpenBabel-Devel] [ openbabel-Patches-3202124 ] Fix mol.cpp::OBMol::GetInternalCoord() inconsistency
SourceForge.net
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2011/03/06
Re: [OpenBabel-Devel] FAILED (t=1): Open Babel - Apple Mac OS X 10.6 GCC 4.0.1 - Nightly
Noel O'Boyle
-
2011/03/04
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Marcus D. Hanwell
-
2011/03/04
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Noel O'Boyle
-
2011/03/04
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Geoffrey Hutchison
-
2011/03/04
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Marcus D. Hanwell
-
2011/03/04
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Noel O'Boyle
-
2011/03/04
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Marcus D. Hanwell
-
2011/03/04
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Geoffrey Hutchison
-
2011/03/04
[OpenBabel-Devel] [ openbabel-Bugs-3199691 ] The Java sample program doesn't compile
SourceForge.net
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2011/03/04
Re: [OpenBabel-Devel] FAILED (t=1): Open Babel - Apple Mac OS X 10.6 GCC 4.0.1 - Nightly
Noel O'Boyle
-
2011/03/04
Re: [OpenBabel-Devel] FAILED (t=1): Open Babel - Apple Mac OS X 10.6 GCC 4.0.1 - Nightly
Chris Morley
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2011/03/04
[OpenBabel-Devel] Funded project for undergraduate student on forcefield development in Open Babel
Noel O'Boyle
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2011/03/03
Re: [OpenBabel-Devel] FAILED (t=1): Open Babel - Apple Mac OS X 10.6 GCC 4.0.1 - Nightly
Noel O'Boyle
-
2011/03/03
Re: [OpenBabel-Devel] Building Open Babel on Windows
Noel O'Boyle
-
2011/03/03
[OpenBabel-Devel] Building Open Babel on Windows
Marcus D. Hanwell
-
2011/03/03
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Marcus D. Hanwell
-
2011/03/03
[OpenBabel-Devel] Fwd: FAILED (t=1): Open Babel - Apple Mac OS X 10.6 GCC 4.0.1 - Nightly
Noel O'Boyle
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2011/03/01
[OpenBabel-Devel] [ openbabel-Patches-3196285 ] Fix dummy atom deletion in obutil.cpp::InternalToCartesian()
SourceForge.net
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2011/03/01
[OpenBabel-Devel] [ openbabel-Patches-3196280 ] Fix indexing in obutil.cpp::InternalToCartesian()
SourceForge.net
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2011/02/27
[OpenBabel-Devel] [ openbabel-Patches-3194050 ] fix iterators with Python 3
SourceForge.net
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2011/02/27
[OpenBabel-Devel] [ openbabel-Patches-3194037 ] ob-python wrap OBInternalCoord vector
SourceForge.net
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2011/02/25
[OpenBabel-Devel] [ openbabel-File Format Support-3192996 ] PDBQT format - compatibility with PyRx (Vina) and PaDEL-ADV
SourceForge.net
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2011/02/23
Re: [OpenBabel-Devel] Modify test for IsSetupNeeded() as contributed by Paolo Tosco. We can't just...
Geoffrey Hutchison
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2011/02/21
[OpenBabel-Devel] [ openbabel-Bugs-3187943 ] No wedged or hashed bonds in svg
SourceForge.net
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2011/02/20
Re: [OpenBabel-Devel] iBabel and Open Babel (SourceForge.net)
Noel O'Boyle
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2011/02/20
Re: [OpenBabel-Devel] Modify test for IsSetupNeeded() as contributed by Paolo Tosco. We can't just...
Noel O'Boyle
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2011/02/19
[OpenBabel-Devel] [ openbabel-Bugs-3187084 ] --gen3D does not work for decalin
SourceForge.net
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2011/02/19
[OpenBabel-Devel] [ openbabel-Feature Requests-3187036 ] Documentation on quantum chemistry file formats
SourceForge.net
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2011/02/19
[OpenBabel-Devel] [ openbabel-Feature Requests-3187031 ] Documentation on quantum chemistry file formats
SourceForge.net
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2011/02/19
Re: [OpenBabel-Devel] iBabel and Open Babel (SourceForge.net)
christophersw...@btconnect.com
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2011/02/18
Re: [OpenBabel-Devel] iBabel and Open Babel (SourceForge.net)
christophersw...@btconnect.com
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2011/02/18
Re: [OpenBabel-Devel] iBabel and Open Babel (SourceForge.net)
Noel O'Boyle
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2011/02/18
Re: [OpenBabel-Devel] iBabel and Open Babel (SourceForge.net)
christopherswain
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2011/02/18
[OpenBabel-Devel] [ openbabel-Bugs-3185712 ] iBabel and Open Babel
SourceForge.net
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2011/02/16
[OpenBabel-Devel] [ openbabel-Bugs-3184578 ] azide --gen3D / -p7.4
SourceForge.net
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2011/02/16
Re: [OpenBabel-Devel] Modify test for IsSetupNeeded() as contributed by Paolo Tosco. We can't just...
Geoffrey Hutchison
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2011/02/16
[OpenBabel-Devel] Modify test for IsSetupNeeded() as contributed by Paolo Tosco. We can't just...
baoilleach
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2011/02/15
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Marcus D. Hanwell
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2011/02/14
Re: [OpenBabel-Devel] Please leave it to Geoff to merge
Noel O'Boyle
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2011/02/14
Re: [OpenBabel-Devel] Please leave it to Geoff to merge
Daniel Leidert
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2011/02/14
[OpenBabel-Devel] Please leave it to Geoff to merge
Noel O'Boyle
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2011/02/13
Re: [OpenBabel-Devel] Problem with linking
kc
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2011/02/12
Re: [OpenBabel-Devel] Problem with linking
Chris Morley
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2011/02/12
Re: [OpenBabel-Devel] Problem with linking
Keng Cher Soh
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2011/02/12
Re: [OpenBabel-Devel] Problem with linking
kc
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2011/02/12
Re: [OpenBabel-Devel] Problem with linking
Chris Morley
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2011/02/12
Re: [OpenBabel-Devel] Problem with linking
kc
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2011/02/12
Re: [OpenBabel-Devel] Problem with linking
Chris Morley
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2011/02/12
[OpenBabel-Devel] Problem with linking
kc
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2011/02/10
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Noel O'Boyle
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2011/02/10
[OpenBabel-Devel] Accessing Make command in CMakeFiles (Was Re: Build system issues - bindings getting built again and again)
Noel O'Boyle
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2011/02/09
Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again
Daniel Leidert
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2011/02/09
[OpenBabel-Devel] Build system issues - bindings getting built again and again
Daniel Leidert
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2011/02/02
Re: [OpenBabel-Devel] PDBQT format, finished
Stuart Armstrong
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2011/02/02
Re: [OpenBabel-Devel] PDBQT format, finished
Noel O'Boyle
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2011/02/02
Re: [OpenBabel-Devel] PDBQT format, finished
Stuart Armstrong
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2011/01/28
Re: [OpenBabel-Devel] PDBQT format, finished
Noel O'Boyle
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2011/01/28
[OpenBabel-Devel] [ openbabel-Bugs-3167053 ] PDB->PDBQT takes forever
SourceForge.net
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2011/01/25
[OpenBabel-Devel] [ openbabel-Bugs-3165582 ] babel 2.3 doesn't print charge properties
SourceForge.net
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2011/01/25
Re: [OpenBabel-Devel] Fragmentation
Andrew Dalke
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2011/01/25
[OpenBabel-Devel] [ openbabel-Bugs-3165470 ] babel 2.3 linux - wrong bond order/ doesn't print charges
SourceForge.net
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2011/01/25
[OpenBabel-Devel] [ openbabel-Bugs-3165466 ] babel 2.3 - wrong bond order/ doesn't print charges
SourceForge.net
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2011/01/24
[OpenBabel-Devel] [ openbabel-Bugs-3165083 ] minor buffer overflow in SMILES parser
SourceForge.net
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2011/01/21
Re: [OpenBabel-Devel] Open Babel citations
Craig A. James
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2011/01/21
Re: [OpenBabel-Devel] Open Babel citations
Noel O'Boyle
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2011/01/21
Re: [OpenBabel-Devel] Open Babel citations
Geoffrey Hutchison
-
2011/01/21
[OpenBabel-Devel] Open Babel citations
Noel O'Boyle
-
2011/01/17
[OpenBabel-Devel] [ openbabel-File Format Support-3160274 ] convert to and from .cfg format
SourceForge.net
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2011/01/15
Re: [OpenBabel-Devel] virtual function visibility
Marcus D. Hanwell
-
2011/01/15
Re: [OpenBabel-Devel] virtual function visibility
Konstantin Tokarev
-
2011/01/15
Re: [OpenBabel-Devel] virtual function visibility
Marcus D. Hanwell
-
2011/01/15
Re: [OpenBabel-Devel] virtual function visibility
Konstantin Tokarev
-
2011/01/14
Re: [OpenBabel-Devel] virtual function visibility
Marcus D. Hanwell
-
2011/01/14
Re: [OpenBabel-Devel] virtual function visibility
Geoffrey Hutchison
-
2011/01/14
[OpenBabel-Devel] [ openbabel-Feature Requests-3158080 ] An iterator over molecules read from a file in Java
SourceForge.net
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2011/01/13
[OpenBabel-Devel] [ openbabel-Bugs-3157354 ] Hydrogen erroneously added when converting to InChI
SourceForge.net
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2011/01/12
[OpenBabel-Devel] virtual function visibility
Jerome Pansanel
-
2011/01/11
Re: [OpenBabel-Devel] DESTDIR and Ruby
Bollinger, John C
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2011/01/11
[OpenBabel-Devel] [ openbabel-Patches-3155737 ] Get distance from atom to arbitrary point in space
SourceForge.net
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2011/01/11
Re: [OpenBabel-Devel] DESTDIR and Ruby
Noel O'Boyle
-
2011/01/11
Re: [OpenBabel-Devel] DESTDIR and Ruby
Bollinger, John C
-
2011/01/11
Re: [OpenBabel-Devel] Fwd: Open Babel and Synthetic Difficulty....
Chris Morley
-
2011/01/10
[OpenBabel-Devel] Fwd: Open Babel and Synthetic Difficulty....
Geoffrey Hutchison
-
2011/01/10
Re: [OpenBabel-Devel] make install or make vendor_install for Perl bindings?
Dominik 'Rathann' Mierzejewski
-
2011/01/08
[OpenBabel-Devel] DESTDIR and Ruby
Noel O'Boyle
-
2011/01/08
[OpenBabel-Devel] make install or make vendor_install for Perl bindings?
Noel O'Boyle
-
2011/01/08
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Michael Banck
-
2011/01/08
Re: [OpenBabel-Devel] Using DESTDIR for Python
Noel O'Boyle
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2011/01/07
Re: [OpenBabel-Devel] Using DESTDIR for Python
Bollinger, John C
-
2011/01/07
[OpenBabel-Devel] [ openbabel-Bugs-3153016 ] Python bindings fail for Eigen in nonstandard location
SourceForge.net
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2011/01/07
Re: [OpenBabel-Devel] [Open Babel] about Python binding
Noel O'Boyle
-
2011/01/07
[OpenBabel-Devel] Using DESTDIR for Python
Noel O'Boyle
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Bollinger, John C
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Bollinger, John C
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Marcus D. Hanwell
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Geoffrey Hutchison
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Konstantin Tokarev
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Bollinger, John C
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Geoffrey Hutchison
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Marcus D. Hanwell
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Noel O'Boyle
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Marcus D. Hanwell
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Noel O'Boyle
-
2011/01/06
Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
Bollinger, John C
-
2011/01/05
[OpenBabel-Devel] [ openbabel-Bugs-3152165 ] Python(/Perl?/Ruby?) build failure w/ parallel make
SourceForge.net
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2011/01/04
[OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension
SourceForge.net
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2010/12/31
Re: [OpenBabel-Devel] [PATCH] fix external inchi support and language bindings building
Noel O'Boyle
-
2010/12/22
Re: [OpenBabel-Devel] Fragmentation
Gert Thijs
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2010/12/22
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2010/12/22
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2010/12/22
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2010/12/22
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2010/12/22
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2010/12/22
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2010/12/22
Re: [OpenBabel-Devel] Fragmentation
erapp
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2010/12/22
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2010/12/22
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2010/12/22
Re: [OpenBabel-Devel] Fragmentation
Craig A. James
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2010/12/22
Re: [OpenBabel-Devel] Fragmentation
erapp
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2010/12/22
Re: [OpenBabel-Devel] Fragmentation
Noel O'Boyle
-
2010/12/22
[OpenBabel-Devel] Fragmentation
erapp
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2010/12/19
[OpenBabel-Devel] [ openbabel-Feature Requests-3140439 ] comment3, viagra, levitra, como usar cytotec, zoloft.com, ca
SourceForge.net
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2010/12/18
[OpenBabel-Devel] [ openbabel-Bugs-3139886 ] Stereochemistry errors when stereochemistry not specified
SourceForge.net
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2010/12/18
Re: [OpenBabel-Devel] Cis-trans stereochemistry in gen2D/MCDL
Noel O'Boyle
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2010/12/17
Re: [OpenBabel-Devel] Cis-trans stereochemistry in gen2D/MCDL
Noel O'Boyle
-
2010/12/17
[OpenBabel-Devel] [ openbabel-Bugs-3139110 ] SDF file atom parity calculated incorrectly when Hs involved
SourceForge.net
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2010/12/16
Re: [OpenBabel-Devel] [Open Babel] OBPairTemplate
Gert Thijs
-
2010/12/15
[OpenBabel-Devel] Cis-trans stereochemistry in gen2D/MCDL
Noel O'Boyle
-
2010/12/13
[OpenBabel-Devel] 2D stereo perception
Noel O'Boyle
-
2010/12/09
[OpenBabel-Devel] [ openbabel-Bugs-3132967 ] Failure to install 2.3.0 stable release on CentOS 5.4
SourceForge.net
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2010/12/08
[OpenBabel-Devel] [ openbabel-Bugs-3132864 ] SEGV on conversion to SVG
SourceForge.net
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2010/12/07
[OpenBabel-Devel] [ openbabel-Bugs-3131581 ] OBDepict draws wedge+hash bonds pointing in wrong direction
SourceForge.net
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2010/12/07
[OpenBabel-Devel] [ openbabel-Bugs-3131575 ] wxWidgets 2.8 required for building GUI
SourceForge.net
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2010/12/03
[OpenBabel-Devel] [ openbabel-Bugs-3126901 ] FOR_ATOMS_OF_MOL is not working as described
SourceForge.net
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2010/12/02
[OpenBabel-Devel] [PATCH] fix external inchi support and language bindings building
Dominik 'Rathann' Mierzejewski
-
2010/12/02
[OpenBabel-Devel] [ openbabel-Bugs-3125376 ] Smarts unique matches should take bonds into account
SourceForge.net
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2010/12/01
Re: [OpenBabel-Devel] OBDotNet
ed
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2010/12/01
Re: [OpenBabel-Devel] OBDotNet
Noel O'Boyle
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2010/11/30
Re: [OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Noel O'Boyle
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2010/11/29
Re: [OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Steffen Neumann
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2010/11/29
Re: [OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Noel O'Boyle
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2010/11/28
[OpenBabel-Devel] [ openbabel-Bugs-3121243 ] cannot search for C[N+]#[C-] using FS
SourceForge.net
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2010/11/26
[OpenBabel-Devel] [ openbabel-Bugs-3119577 ] SMILES does not match itself
SourceForge.net
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2010/11/26
[OpenBabel-Devel] Antwort: Re: [Open Babel] C[C@@H](O)C(O)=O and C[C@H](O)C(O)=O match?
ernst-georg . schmid
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2010/11/25
Re: [OpenBabel-Devel] [Open Babel] C[C@@H](O)C(O)=O and C[C@H](O)C(O)=O match?
Geoffrey Hutchison
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2010/11/25
Re: [OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Steffen Neumann
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2010/11/24
Re: [OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Geoffrey Hutchison
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2010/11/24
Re: [OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Noel O'Boyle
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2010/11/24
Re: [OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Noel O'Boyle
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2010/11/23
[OpenBabel-Devel] 58 failures among 28 Mio conversions smi -> inchi
Steffen Neumann
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2010/11/23
[OpenBabel-Devel] [ openbabel-Bugs-3117349 ] SDF to FS makes OBABEL to crash( 3117263)
SourceForge.net
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2010/11/23
[OpenBabel-Devel] [ openbabel-Bugs-3117263 ] SDF to FS makes OBABEL to crash
SourceForge.net
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2010/11/23
Re: [OpenBabel-Devel] stereochemistry changes in 2.3.0
Igor Filippov
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2010/11/23
[OpenBabel-Devel] [ openbabel-Bugs-3116415 ] SEGV converting smi -> inchi [2]
SourceForge.net
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2010/11/23
Re: [OpenBabel-Devel] stereochemistry changes in 2.3.0
Noel O'Boyle
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2010/11/22
Re: [OpenBabel-Devel] stereochemistry changes in 2.3.0
Igor Filippov
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2010/11/22
[OpenBabel-Devel] stereochemistry changes in 2.3.0
Igor Filippov [Contr]
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2010/11/22
[OpenBabel-Devel] [ openbabel-Bugs-3115883 ] make uninstall is missing in 2.3.0
SourceForge.net
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2010/11/21
[OpenBabel-Devel] [ openbabel-Bugs-3114483 ] Crash reading CML files
SourceForge.net
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2010/11/19
Re: [OpenBabel-Devel] obminimize
christophersw...@btconnect.com
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2010/11/19
Re: [OpenBabel-Devel] obminimize
Pascal Muller