SideChainRotater.h

/*
 * SidechainRotater.h
 *
 *  Created on: Jan 27, 2013
 *      Author: Yajia
 */

#ifndef SIDECHAINROTATER_H_
#define SIDECHAINROTATER_H_

#include <PProtein.h>
#include "Rotamer.h"

class SidechainRotater {
public:
    SidechainRotater(PProtein* chain);

    virtual ~SidechainRotater();

    void rotateSidechain( PChain* chain, const vector<DihedralAngle>& aBackbone);

    double evalSidechain( PChain* chain);

    static void getSidechainAngles(PProtein* chain, vector< vector<double> >& angles);
private:
    Rotamer* rotamer;
};

#endif /* SIDECHAINROTATER_H_ */