abc_alg.h File Reference

Public header file with routine for performing prediction of a protein structure. More...

#include <movchain.h>
#include <hpchain.h>
#include <config.h>
#include <solution/solution.h>

Go to the source code of this file.

Classes
struct	PredResults_
	Structure for returning prediction results to the user. More...

Typedefs
typedef struct PredResults_	PredResults
	Structure for returning prediction results to the user. More...

Functions
Solution	ABC_predict_structure (const HPElem *hpChain, int hpSize, int nCycles, PredResults *results)
	Given a protein in the HPElem * format, searches the 3D conformation with minimal energy. More...

Detailed Description

Public header file with routine for performing prediction of a protein structure.

Typedef Documentation

PredResults

typedef struct PredResults_ PredResults

Structure for returning prediction results to the user.

Function Documentation

ABC_predict_structure()

Solution ABC_predict_structure	(	const HPElem *	hpChain,
		int	hpSize,
		int	nCycles,
		PredResults *	results
	)

Given a protein in the HPElem * format, searches the 3D conformation with minimal energy.

'nCycles' is the number of cycles desired for the algorithm to run.

Returns a MovElem *, which is a sequence of movements of the backbone of the protein, and also the movements of the side-chain beads relative to the backbone.

If 'results' is not NULL, it receives additional values about the predicted protein (see the structure itself for what values are given).