PProteinCCDSolver Class Reference

#include <PIKAlgorithms.h>

List of all members.

Detailed Description

Simplifies the construction of a CCD solver for a PProtein, allowing the user to pass only a pointer to the loop and, if desired, the direction as a ProteinSide parameter. The standard PCCDSolver functions can then be used to perform cyclic coordinate descent.

Public Member Functions

 PProteinCCDSolver (PProtein *loop)
 PProteinCCDSolver (PProtein *loop, ProteinSide side)
 ~PProteinCCDSolver ()
Real DoDescent ()

Constructor & Destructor Documentation

PProteinCCDSolver::PProteinCCDSolver ( PProtein loop  ) 

Constructs a new PProteinCCDSolver for the specified loop. The direction is selected automatically based on distances between anchor and end effector atoms: whichever ProteinSide (start/end) has the greater C-N anchor-effector distance is used.

PProteinCCDSolver::PProteinCCDSolver ( PProtein loop,
ProteinSide  side 

Constructs a new PProteinCCDSolver for the specified protein, using the specified ProteinSide to select anchors/end effectors.

PProteinCCDSolver::~PProteinCCDSolver (  )  [inline]

Member Function Documentation

Real PProteinCCDSolver::DoDescent (  )  [inline]

Performs the same function as PCCDSolver::DoDescent().

See also:

The documentation for this class was generated from the following files:
Generated on Wed May 16 20:22:14 2007 for LoopTK: Protein Loop Kinematic Toolkit by  doxygen 1.5.1