Torsion

Class for torsion rotation support

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Class Summary

class Torsion
{
public:
static float torsionAngleDEG(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D);
static float torsionAngleRAD(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D) ;
static Matrix3 calcRotation(const Vector3 &noment, float angle);
static RigidTrans3 calcTransformationRAD(const Line& line, float angle);
static RigidTrans3 calcTransformationRAD(const Vector3 &a, const Vector3 &b, float angle);
static RigidTrans3 calcTransformationRAD(const Segment& segment, float angle) ;
static RigidTrans3 calcTransformationDEG(const Vector3 &a, const Vector3 &b, float angle) ;
protected:
}; // Torsion

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OVERVIEW TEXT

The class handles rotation around axis. It can compute torsional angle, like phi, psi, or rotational matrix for rotation around an axis.

Given 4 points in 3D space: A,B,C,D, the torsion angle is an angle between two planes defined as A-B-C and B-C-D. Rotations around a B-C axis will therefore lead to different torsion angles. The angle is computed as an angle between the normals to these planes. For definitions of protein torsion angles see: www.mlb.co.jp/linux/science/garlic/doc/commands/dihedrals.html

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AUTHORS

Yuval, Dina (inbaryuv,duhovka@tau.ac.il)

copyright: SAMBA Group , Tel-Aviv Univ. Israel, 2003.

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USAGE

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CHANGES LOG

Copyright: SAMBA group, Tel-Aviv Univ. Israel, 2003.

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float torsionAngleDEG(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D);

compute torsional angle defined by 4 input points in degrees 

  static float torsionAngleDEG(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D);

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float torsionAngleRAD(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D) ;

compute torsional angle defined by 4 input points in radians 

  static float torsionAngleRAD(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D)                                                    
;

Function is currently defined inline.


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Matrix3 calcRotation(const Vector3 &noment, float angle);

compute rotational matrix for rotation around given vector with given angle 

  static Matrix3 calcRotation(const Vector3 &noment, float angle);

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RigidTrans3 calcTransformationRAD(const Line& line, float angle);

compute transformation for rotation around given Line with given angle // in radians 

  static RigidTrans3 calcTransformationRAD(const Line& line, float angle);

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RigidTrans3 calcTransformationRAD(const Vector3 &a, const Vector3 &b, float angle);

compute transformation for rotation around b-a vector with given angle // in radians 

  static RigidTrans3 calcTransformationRAD(const Vector3 &a, const Vector3 &b, float angle);

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RigidTrans3 calcTransformationRAD(const Segment& segment, float angle) ;

Compute the transformation for a rotation around the given segment with the given angle in radians 

  static RigidTrans3 calcTransformationRAD(const Segment& segment, float angle)                                                                                                  
;

Function is currently defined inline.


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RigidTrans3 calcTransformationDEG(const Vector3 &a, const Vector3 &b, float angle) ;

compute transformation for rotation around b-a vector with given angle // in degrees 

  static RigidTrans3 calcTransformationDEG(const Vector3 &a, const Vector3 &b, float angle)                                                       
;

Function is currently defined inline.


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All Members

public:
static float torsionAngleDEG(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D);
static float torsionAngleRAD(const Vector3& A, const Vector3& B, const Vector3& C, const Vector3& D) ;
static Matrix3 calcRotation(const Vector3 &noment, float angle);
static RigidTrans3 calcTransformationRAD(const Line& line, float angle);
static RigidTrans3 calcTransformationRAD(const Vector3 &a, const Vector3 &b, float angle);
static RigidTrans3 calcTransformationRAD(const Segment& segment, float angle) ;
static RigidTrans3 calcTransformationDEG(const Vector3 &a, const Vector3 &b, float angle) ;
protected:

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Ancestors

Class does not inherit from any other class.

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Descendants

Class is not inherited by any others.

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