MTK++ Latest version: 0.2.0

Namespaces
conformer.cpp File Reference

Rotatable bond based conformer class. More...

#include "conformer.h"
#include "molecule.h"
#include "atom.h"
#include "element.h"
#include "bond.h"
#include "torsion.h"
#include "Utils/constants.h"
#include "Utils/vector3d.h"
Include dependency graph for conformer.cpp:

Namespaces

namespace  MTKpp
 

MTK++ namespace.



Detailed Description

Rotatable bond based conformer class.

Author:
Martin Peters

All torsions are stored in radians: 360 deg = 2 pi radian 180 deg = pi radian 90 deg = pi/2 radian 1 deg = pi/180 radian = 0.0174533 radian 10 deg = 10 * 0.0174533 = 0.174533 1 radian = 180/pi deg = 57.29578 deg

Date:
2010/03/29 20:42:28
Revision:
1.10

----------------------------------------------------------------------------

MTK++ - C++ package of modeling libraries.

Copyright (C) 2005-2006 (see AUTHORS file for a list of contributors)

This file is part of MTK++.

MTK++ is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version.

MTK++ is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lessser General Public License for more details.

You should have received a copy of the GNU Lesser General Public License along with this program. If not, see <http://www.gnu.org/licenses/>.

----------------------------------------------------------------------------

Generated on Fri Dec 23 2011 09:28:52 for MTK++ by Doxygen 1.7.5.1