Update website to openbabel.org (long overdue).

This commit is contained in:
Geoffrey Hutchison
2010-10-10 01:24:39 +00:00
parent ca5db7a67d
commit 3e71f5a35b
271 changed files with 313 additions and 312 deletions
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+2 -2
View File
@@ -6,7 +6,7 @@
# Some portions Copyright (c) 2002 by Geoffrey R. Hutchison
#
# This file is part of the Open Babel project.
# For more information, see <http://openbabel.sourceforge.net/>
# For more information, see <http://openbabel.org/>
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
@@ -51,7 +51,7 @@ if( !$debug ) {
print "/***************************************************************\n";
print "This file is part of the Open Babel project.\n";
print "This is copyright under the GNU General Public License (GPL)\n";
print "For more information, see <http://openbabel.sourceforge.net/>\n\n";
print "For more information, see <http://openbabel.org/>\n\n";
print "This file contains a binary representation of data tables\n";
print " used by Open Babel. It is used as a fallback if the textual\n";
print " data table is not found at runtime. It is not a normal header.\n";
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -1,7 +1,7 @@
/***************************************************************
This file is part of the Open Babel project.
This is copyright under the GNU General Public License (GPL)
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This file contains a binary representation of data tables
used by Open Babel. It is used as a fallback if the textual
+1 -1
View File
@@ -61,6 +61,6 @@ output without saving it by not selecting an output file or by checking "Output
<strong>oxamide.cml</strong> which is 2D and has a large number of properties that will be seen when converting to sdf.<br />
<strong>FourSmallMols.cml</strong> which (unsurprisingly) contains four molecules with no atom coordinates and can be used to illustrate the handling of multiple molecules. Setting the output format to smi (which is easy to see), you can convert only the second and third molecules by entering 2 and 3 in the appropriate option boxes. Or convert only molecules with C-O single bonds by entering CO in the SMARTS option box.</p>
<hr />
<p>Please report bugs or suggestions for improvement to the <a href="http://openbabel.sourceforge.net/wiki/Main_Page\n\n\">OpenBabel website</a>.</p>
<p>Please report bugs or suggestions for improvement to the <a href="http://openbabel.org/wiki/Main_Page\n\n\">OpenBabel website</a>.</p>
</body>
</html>
+1 -1
View File
@@ -4,7 +4,7 @@ example.cpp - example of interfacing of OpenBabel with Boost Graph Library
Copyright (C) 2007 by Gerde Menche
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ mol_graph.h - interface with Boost Graph Library.
Copyright (C) 2007 by Gerde Menche
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ verbose_visitors.h - visitor classes dumping a short text message for every visi
Copyright (C) 2007 by Gerde Menche
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
Some portions Copyright (C) 2003 by Michael Banck
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -7,7 +7,7 @@ Some portions Copyright (C) 2003 by Michael Banck
Some portions Copyright (C) 2008 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ bondtyper.h - Bond typer to perceive connectivity and bond orders/types.
Copyright (C) 2003-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2007-2008 by Tim Vandermeersch
<tim.vandermeersch@gmail.com>
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ canon.h - Canonical labeling.
Craig A. James
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
Some portions Copyright (C) 2008 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2010 by Geoffrey Hutchison
Some portions Copyright (C) 2009 by Frank Peters
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2009 by Tim Vandermeersch
Some portions Copyright (C) 2009 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2009 by Tim Vandermeersch
Some portions Copyright (C) 2009 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ svgpainter.h - Rendering in SVG
Copyright (C) 2009 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ descriptor.h - Base class for molecular descriptors
Copyright (C) 2007 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ dlhandler.h - Dynamic loader for file format modules.
Copyright (C) 2004-2005 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ fingerprint.h - Base class for fingerprints and fast searching
Copyright (C) 2005 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ forcefield.h - Handle OBForceField class.
Copyright (C) 2006-2007 by Tim Vandermeersch <tim.vandermeersch@gmail.com>
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2004-2007 by Chris Morley
Some portions Copyright (C) 2005-2007 by Geoffrey Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2010 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ graphsym.h - Class for handling graph symmetry.
Craig A. James
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
Some Portions Copyright (C) 2008 by Marcus D. Hanwell
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -7,7 +7,7 @@ griddata.h - Store grids of data linked to a molecule (e.g. Gaussian cube)
Some Portions Copyright (C) 2008 by Marcus D. Hanwell
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -8,7 +8,7 @@ Copyright (C) 2007 by Tim Vandermeersch
Original version: JOELib2, http://joelib.sf.net
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
Some portions Copyright (C) 2003 by Michael Banck
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@
Copyright (C) 2010 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -2,7 +2,7 @@
Copyright (C) 2005 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ lineend.h - Stream buffer for filtering line endings, converting \r or \r\n -> \
Copyright (C) 2007 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ locale.h - Handle internal numeric locale issues -- parse data in "C"
Copyright (C) 2008 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ align.h - Align two molecules or vectors of vector3
Copyright (C) 2010 by Noel M. O'Boyle
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
Some portions Copyright (C) 2006 by Benoit Jacob
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ spacegroup.h - Handle Crystallographic Space Groups.
Copyright (C) 2007 by Jean Bréfort
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License as
+1 -1
View File
@@ -4,7 +4,7 @@ transform3d.h - Handle 3D transformations in space groups.
Copyright (C) 2007 by Jean Bréfort
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License as
+1 -1
View File
@@ -6,7 +6,7 @@ Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
Some portions Copyright (C) 2006 by Benoit Jacob
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2007,2008 by Sergei V. Trepalin sergey_trepalin@chemical-block.com
Copyright (C) 2007,2008 by Andrei Gakh andrei.gakh@nnsa.doe.gov
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -7,7 +7,7 @@ Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
Some portions Copyright (C) 2003 by Michael Banck
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ obconversion.h - Handle file conversions. Declaration of OBFormat, OBConversion
Copyright (C) 2004-2009 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2002 by Stefan Kebekus
Some portions Copyright (C) 2003-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+2 -2
View File
@@ -4,7 +4,7 @@ obmolecformat.h - Subclass of OBFormat for conversion of OBMol.
Copyright (C) 2005 Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
@@ -54,7 +54,7 @@ namespace OpenBabel {
This class is not intended for direct use outside of Open Babel, unless
you're writing a new format converting to or from an OBMol molecule.
(e.g., see http://openbabel.sourceforge.net/wiki/HowTo:Add_A_New_File_Format).
(e.g., see http://openbabel.org/wiki/HowTo:Add_A_New_File_Format).
An OBFormat which converts to and/or from OBMol can derive from this class
to save duplicating the ReadChemObject() and/or WriteChemObject() methods.
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ op.h - plugin options or operations
Copyright (C) 2007 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -3,7 +3,7 @@ optransform.h: makes option to transform molecule as specified in a datafile
Copyright (C) 2008 Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ plugin.h - facilitates construction of plugin classes
Copyright (C) 2007 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1996, 2003 S. Patchkovskii, Serguei.Patchkovskii@sympatico.ca
Some portions Copyright (C) 2007 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@
Copyright (C) 2010 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ reaction.h - Handle chemical reactions (i.e., lists of reagents and products).
Copyright (C) 2005 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2001, 2002 OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2000 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2000 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Spectrophore.h - Spectrophore(TM) calculator.
Copyright (C) 2005-2010 by Silicos NV
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@
Copyright (C) 2009-2010 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@
Copyright (C) 2009 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@
Copyright (C) 2009 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@
Copyright (C) 2009 by Tim Vandermeersch
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ text.h - Declaration and Implementation of OBText
Copyright (C) 2008 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2005 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -7,7 +7,7 @@ other language that runs on the JVM such as Jython or JRuby.
The Open Babel wiki pages on Java give information on compiling and
running Java programs with Open Babel:
http://openbabel.sourceforge.net/wiki/Java
http://openbabel.org/wiki/Java
*** Linux Compilation
+1 -1
View File
@@ -48,7 +48,7 @@ COPYRIGHT AND LICENSE
Copyright (C) 2005-2007 Geoffrey R. Hutchison <babel@geoffhutchison.net>
This Perl Module is part of the Open Babel project.
<http://openbabel.sourceforge.net/>
<http://openbabel.org/>
Open Babel is distributed under the GNU General Public License (GPL).
This program is free software; you can redistribute it and/or modify
+2 -2
View File
@@ -5,7 +5,7 @@ g/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<title>Open Babel: Python Scripting</title>
<meta http-equiv="Content-Type" content="text/html; charset=ISO-8859-1" />
<link rel="top" href="http://openbabel.sourceforge.net/" />
<link rel="top" href="http://openbabel.org/" />
<link rel="stylesheet" href="site.css" type="text/css" media="all" />
</head>
<body bgcolor="#ffffff">
@@ -97,7 +97,7 @@ obConversion.WriteFile(mol, '1abc.mol2')
</pre>
<p>
That's it! There's more information on particular calls in the <a href="http://openbabel.sourceforge.net/api/">library API</a>. Feel free to address questions to the <a href="mailto:openbabel-scripting@lists.sourceforge.net">openbabel-scripting</a> mailing list.
That's it! There's more information on particular calls in the <a href="http://openbabel.org/api/">library API</a>. Feel free to address questions to the <a href="mailto:openbabel-scripting@lists.sourceforge.net">openbabel-scripting</a> mailing list.
</p>
</div> <!-- end content -->
+2 -2
View File
@@ -15,7 +15,7 @@ conversion framework OBConversion.
For more details, tutorials, example code, etc., please visit the Open Babel
website:
<http://openbabel.sourceforge.net/wiki/Python>
<http://openbabel.org/wiki/Python>
INSTALLATION
@@ -45,7 +45,7 @@ Copyright (C) 2005-2007 Geoffrey R. Hutchison <babel@geoffhutchison.net>
Some portions Copyright (C) 2006-2009 Noel O'Boyle
This Python module is part of the Open Babel project.
<http://openbabel.sourceforge.net/>
<http://openbabel.org/>
Open Babel is distributed under the GNU General Public License (GPL).
This program is free software; you can redistribute it and/or modify
+2 -2
View File
@@ -12,7 +12,7 @@ chemistry, solid-state materials, biochemistry, or related areas.
This code was automatically generated with SWIG and provides access to almost all of the Open Babel API via Ruby.
More details can also be found at the Open Babel website:
<http://openbabel.sourceforge.net/wiki/Ruby/>
<http://openbabel.org/wiki/Ruby/>
=== INSTALLATION ===
@@ -81,7 +81,7 @@ Copyright (C) 2007 Geoffrey R. Hutchison <babel@geoffhutchison.net>
and Richard L. Apodaca <rich_apodaca@yahoo.com>
This Ruby module is part of the Open Babel project.
<http://openbabel.sourceforge.net/>
<http://openbabel.org/>
Open Babel is distributed under the GNU General Public License (GPL).
This program is free software; you can redistribute it and/or modify
+3 -3
View File
@@ -4,7 +4,7 @@ OBGUI.cpp - Implementation of a cross-platform Graphical User Interface
Copyright (C) 2006 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
@@ -461,9 +461,9 @@ void OBGUIFrame::OnAbout(wxCommandEvent& WXUNUSED(event))
{
wxString msg(_T("OpenBabelGUI (C) 2006 by Chris Morley\n\nThis program is part of\
the OpenBabel project,\nwhich is released under the GNU General Public License.\n\
See: http://openbabel.sourceforge.net/wiki/Main_Page\n\n\
See: http://openbabel.org/wiki/Main_Page\n\n\
For more detailed information see:\n\
http://openbabel.sourceforge.net/wiki/Windows_GUI\n\n \
http://openbabel.org/wiki/Windows_GUI\n\n \
OpenBabel version "));
msg << _T(BABEL_VERSION);
wxMessageBox(msg, _T("About OpenBabelGUI"), wxOK | wxICON_INFORMATION | wxCENTER, this);
+1 -1
View File
@@ -4,7 +4,7 @@ OBGUI.h - Cross-platform Graphical User Interface
Copyright (C) 2006 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ optswx.cpp - Constructs wxWidgets Option controls from description text
Copyright (C) 2006 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ optswx.h - Constructs wxWidgets Option controls from description text
Copyright (C) 2006 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ OBGUI.h - Cross-platform Graphical User Interface
Copyright (C) 2006 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ RDKitConv.cpp - Convert OpenBabel OBMol to RGKit molecules
Copyright (C) 2007 by Chris Morley
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ Some portions Copyright (C) 2001-2008 by Geoffrey R. Hutchison
Some portions Copyright (C) 2003 by Michael Banck
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ bondtyper.cpp - Bond typer to perceive connectivity and bond orders/types.
Copyright (C) 2003-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2007-2008 by Tim Vandermeersch
<tim.vandermeersch@gmail.com>
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -6,7 +6,7 @@ canon.h - Canonical labeling.
Craig A. James
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -7,7 +7,7 @@ Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -5,7 +5,7 @@ Copyright (C) 2010 Geoffrey Hutchison
Some portions Copyright (C) 2009 by Frank Peters
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
+1 -1
View File
@@ -4,7 +4,7 @@ gasteiger.cpp - A OBChargeModel to handle Gasteiger sigma charges
Copyright (C) 2010 by Geoffrey R. Hutchison
This file is part of the Open Babel project.
For more information, see <http://openbabel.sourceforge.net/>
For more information, see <http://openbabel.org/>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by

Some files were not shown because too many files have changed in this diff Show More