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:

## Namespaces | |

namespace | MTKpp |

MTK++ namespace. |

Rotatable bond based conformer class.

- For each torsion we will only rotate on the rhs, X1, 4, X2, ... etc.
X1 / 2 -- 3 X2 / \ / 1 4

- We need to make a list of these atoms for each torsion

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

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