MTK++ Latest version: 0.2.0

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:


namespace  MTKpp

MTK++ namespace.

Detailed Description

Rotatable bond based conformer class.

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

2010/03/29 20:42:28


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