PProteinCCDSolver Class Reference

#include <PIKAlgorithms.h>

List of all members.

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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 ()

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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]

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Member Function Documentation

Real PProteinCCDSolver::DoDescent

(

)

[inline]

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

See also:

PCCDSolver::DoDescent

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The documentation for this class was generated from the following files:

• src/core/PIKAlgorithms.h
• src/core/PProteinCCDSolver.cc

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