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[OpenBabel-Updates] SF.net SVN: openbabel:[3482] openbabel/trunk

From: <chrismorl@us...> - 2009-12-04 15:21

Revision: 3482
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3482&view=rev
Author:   chrismorl
Date:     2009-12-04 15:21:13 +0000 (Fri, 04 Dec 2009)

Log Message:
-----------
Fix rotational constants in GaussFormat and atom display in OBDepict 

Modified Paths:
--------------
    openbabel/trunk/ChangeLog
    openbabel/trunk/src/depict/depict.cpp
    openbabel/trunk/src/formats/gaussformat.cpp
    openbabel/trunk/src/formats/svgformat.cpp


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[OpenBabel-Updates] SF.net SVN: openbabel:[3483] openbabel/trunk

From: <chrismorl@us...> - 2009-12-04 19:54

Revision: 3483
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3483&view=rev
Author:   chrismorl
Date:     2009-12-04 19:54:24 +0000 (Fri, 04 Dec 2009)

Log Message:
-----------
Update CMake files for OBDepict and svgformat

Modified Paths:
--------------
    openbabel/trunk/data/CMakeLists.txt
    openbabel/trunk/src/CMakeLists.txt
    openbabel/trunk/src/config.h.cmake
    openbabel/trunk/src/formats/CMakeLists.txt


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[OpenBabel-Updates] SF.net SVN: openbabel:[3487] openbabel/trunk

From: <chrismorl@us...> - 2009-12-11 14:54

Revision: 3487
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3487&view=rev
Author:   chrismorl
Date:     2009-12-11 14:54:20 +0000 (Fri, 11 Dec 2009)

Log Message:
-----------
Get description of any	plugin class from commandline -L option of GUI.

Modified Paths:
--------------
    openbabel/trunk/ChangeLog
    openbabel/trunk/include/openbabel/plugin.h
    openbabel/trunk/src/GUI/OBGUI.cpp
    openbabel/trunk/src/plugin.cpp
    openbabel/trunk/tools/babel.cpp
    openbabel/trunk/tools/obabel.cpp


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[OpenBabel-Updates] SF.net SVN: openbabel:[3488] openbabel/trunk

From: <baoilleach@us...> - 2009-12-14 11:52

Revision: 3488
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3488&view=rev
Author:   baoilleach
Date:     2009-12-14 11:52:50 +0000 (Mon, 14 Dec 2009)

Log Message:
-----------
2009-12-14  Noel O'Boyle

	* src/GUI/OBGUI.cpp: Fix compilation on Linux.

Modified Paths:
--------------
    openbabel/trunk/ChangeLog
    openbabel/trunk/src/GUI/OBGUI.cpp


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[OpenBabel-Updates] SF.net SVN: openbabel:[3490] openbabel/trunk

From: <chrismorl@us...> - 2009-12-15 14:36

Revision: 3490
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3490&view=rev
Author:   chrismorl
Date:     2009-12-15 14:35:59 +0000 (Tue, 15 Dec 2009)

Log Message:
-----------
Improve the handling of dative bonds in Fastsearch. 

Modified Paths:
--------------
    openbabel/trunk/ChangeLog
    openbabel/trunk/include/openbabel/parsmart.h
    openbabel/trunk/src/bond.cpp
    openbabel/trunk/src/formats/fastsearchformat.cpp
    openbabel/trunk/src/parsmart.cpp


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[OpenBabel-Updates] SF.net SVN: openbabel:[3491] openbabel/trunk

From: <baoilleach@us...> - 2009-12-15 16:16

Revision: 3491
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3491&view=rev
Author:   baoilleach
Date:     2009-12-15 16:16:11 +0000 (Tue, 15 Dec 2009)

Log Message:
-----------
2009-12-15  Noel O'Boyle

	* src/formats/smilesformat.cpp: Create OBPairData of "SMILES Atom
	Order" whenever creating a SMILES string (not just for canonical
	SMILES). Set to "local" so that it won't be written out to an SDF
	file.

Modified Paths:
--------------
    openbabel/trunk/ChangeLog
    openbabel/trunk/src/formats/smilesformat.cpp


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[OpenBabel-Updates] SF.net SVN: openbabel:[3495] openbabel/trunk

From: <cryosuk@us...> - 2009-12-20 21:26

Revision: 3495
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3495&view=rev
Author:   cryosuk
Date:     2009-12-20 21:26:42 +0000 (Sun, 20 Dec 2009)

Log Message:
-----------
Some more fixes to make finding the path of the binaries easier.

Modified Paths:
--------------
    openbabel/trunk/CMakeLists.txt
    openbabel/trunk/test/CMakeLists.txt


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[OpenBabel-Updates] SF.net SVN: openbabel:[3494] openbabel/trunk

From: <cryosuk@us...> - 2009-12-20 21:50

Revision: 3494
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3494&view=rev
Author:   cryosuk
Date:     2009-12-20 20:57:35 +0000 (Sun, 20 Dec 2009)

Log Message:
-----------
Some updates to the build system and the dashboard config.

Modified Paths:
--------------
    openbabel/trunk/CMakeLists.txt
    openbabel/trunk/CTestConfig.cmake


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[OpenBabel-Updates] SF.net SVN: openbabel:[3486] openbabel/trunk/src/formats/vaspformat.cpp

From: <mr_grieves@us...> - 2009-12-10 23:40

Revision: 3486
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3486&view=rev
Author:   mr_grieves
Date:     2009-12-10 23:40:00 +0000 (Thu, 10 Dec 2009)

Log Message:
-----------
Fixes to the VASP format reader.

Modified Paths:
--------------
    openbabel/trunk/src/formats/vaspformat.cpp


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[OpenBabel-Updates] SF.net SVN: openbabel:[3485] openbabel/trunk/CMakeLists.txt

From: <ghutchis@us...> - 2009-12-08 03:40

Revision: 3485
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3485&view=rev
Author:   ghutchis
Date:     2009-12-08 03:40:30 +0000 (Tue, 08 Dec 2009)

Log Message:
-----------
Don't build wxWidgets GUI on Mac -- there are strange build problems. (Apple/wxWidgets bug, not ours.)

Modified Paths:
--------------
    openbabel/trunk/CMakeLists.txt


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[OpenBabel-Updates] SF.net SVN: openbabel:[3484] openbabel/trunk/src/forcefields

From: <timvdm@us...> - 2009-12-05 13:25

Revision: 3484
          http://openbabel.svn.sourceforge.net/openbabel/?rev=3484&view=rev
Author:   timvdm
Date:     2009-12-05 13:25:11 +0000 (Sat, 05 Dec 2009)

Log Message:
-----------
Fix ghemcial vdw term (including analytical gradients)

Modified Paths:
--------------
    openbabel/trunk/src/forcefields/forcefieldghemical.cpp
    openbabel/trunk/src/forcefields/forcefieldghemical.h


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