PExactIKSolver Class Reference

#include <PIKAlgorithms.h>

List of all members.

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Detailed Description

Finds exact inverse kinematic solutions for protein loops.

Static Public Member Functions
static IKSolutions	FindSolutions (PProtein *loop, int Res_indices_to_use[3])
static IKSolutions	FindSolutions (PProtein *loop, int Res_indices_to_use[3], Vector3 *endPriorG, Vector3 *endG, Vector3 *endNextG)

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Member Function Documentation

IKSolutions PExactIKSolver::FindSolutions	(	PProtein *	loop,
		int	Res_indices_to_use[3]
	)			[static]

Given a closed loop and three residue indices, it finds Exact IK solutions using Coutsias method. Note for a certain pose Exact IK can give maximum 16 solutions. The loop in its current state corresponds to one of the solutions.

IKSolutions PExactIKSolver::FindSolutions	(	PProtein *	loop,
		int	Res_indices_to_use[3],
		Vector3 *	endPriorG,
		Vector3 *	endG,
		Vector3 *	endNextG
	)			[static]

Given a loop, three residue indices, and a goal pose defined by three atoms, it finds Exact IK solutions using Coutsias method. The loop conformation can be open or closed.

----------------------------------------------------------------------- This is a sample driver routine to reconstruct tripeptide loops from the coordinates in a pdb file using a canonical bond lengths and angles. -----------------------------------------------------------------------

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

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

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