CloseOneCDRLoop.hh

Go to the documentation of this file.

// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available
// (c) under license. The Rosetta software is developed by the contributing
// (c) members of the Rosetta Commons. For more information, see
// (c) http://www.rosettacommons.org. Questions about this can be addressed to
// (c) University of Washington UW TechTransfer,email:license@u.washington.edu.

/// @file protocols/antibody2/CloseOneCDRLoop.hh
/// @brief
/// @author Jianqing Xu (xubest@gmail.com)


#ifndef INCLUDED_protocols_antibody2_CloseOneCDRLoop_hh
#define INCLUDED_protocols_antibody2_CloseOneCDRLoop_hh

#include <protocols/antibody2/CloseOneCDRLoop.fwd.hh>
#include <core/pose/Pose.hh>
#include <protocols/moves/Mover.hh>

#include <core/kinematics/MoveMap.fwd.hh>

namespace protocols {
namespace antibody2 {

  /// @brief Closes only one CDR onto a framework
  class CloseOneCDRLoop : public protocols::moves::Mover {
  public:
    // default constructor
    CloseOneCDRLoop();

    // constructor with arguments
    CloseOneCDRLoop( core::Size query_start, core::Size query_end  );

    // default destructor
    ~CloseOneCDRLoop();

    void set_default();
    virtual void apply( core::pose::Pose & pose_in );
    virtual std::string get_name() const;


    /// @brief enable benchmark mode
    inline void enable_benchmark_mode( bool setting ) {
      benchmark_ = setting;
    }

  private:
    // Limits of query loop
    core::Size loop_start_, cdr_loop_start_;
    core::Size loop_end_, cdr_loop_end_;
    core::Real allowed_separation_;
    core::Size flanking_residues_;

    /// @brief benchmark flag
    bool benchmark_;

    core::kinematics::MoveMapOP movemap_;

  }; // class CloseOneCDRLoop


} // antibody2
} // protocols


#endif