Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/OpenBabel/torlib.h @ 8:dbb480e39d95 draft
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author | marcel |
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date | Sat, 15 Dec 2012 13:15:46 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.6/data/OpenBabel/torlib.h Sat Dec 15 13:15:46 2012 -0500 @@ -0,0 +1,479 @@ +/*************************************************************** +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.org/> + +This file contains a binary representation of data tables + used by Open Babel. It is used as a fallback if the textual + data table is not found at runtime. It is not a normal header. +***************************************************************/ + + +#ifndef OB_TORLIB_H +#define OB_TORLIB_H + +namespace OpenBabel +{ +static const char TorsionDefaults[] = { + 0x53,0x50,0x33,0x2D,0x53,0x50,0x33,0x20,0x36,0x30,0x2E,0x30,0x20,0x2D,0x36, + 0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x0A,0x53,0x50,0x32,0x2D,0x53, + 0x50,0x32,0x20,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x2D,0x33, + 0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x31,0x35,0x30,0x2E,0x30,0x20, + 0x2D,0x31,0x35,0x30,0x2E,0x30,0x0A,0x53,0x50,0x33,0x2D,0x53,0x50,0x32,0x20, + 0x30,0x2E,0x30,0x20,0x33,0x30,0x2E,0x30,0x20,0x2D,0x33,0x30,0x2E,0x30,0x20, + 0x36,0x30,0x2E,0x30,0x20,0x2D,0x36,0x30,0x2E,0x30,0x20,0x31,0x32,0x30,0x2E, + 0x30,0x20,0x2D,0x31,0x32,0x30,0x2E,0x30,0x20,0x2D,0x31,0x35,0x30,0x2E,0x30, + 0x20,0x31,0x35,0x30,0x2E,0x30,0x20,0x31,0x38,0x30,0x2E,0x30,0x20,0x2D,0x39, + 0x30,0x2E,0x30,0x20,0x39,0x30,0x2E,0x30,0x0A,0x4F,0x40,0x5B,0x43,0x44,0x33, + 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