H3CterInsert.hh

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// vi: set ts=2 noet:
//
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/// @file protocols/antibody2/H3CterInsert.hh
/// @brief Build a homology model of an antibody2
/// @detailed
///
///
/// @author Jianqing Xu ( xubest@gmail.com )




#ifndef INCLUDED_protocols_antibody2_H3CterInsert_hh
#define INCLUDED_protocols_antibody2_H3CterInsert_hh


#include <protocols/antibody2/H3CterInsert.fwd.hh>
#include <core/fragment/FragData.hh>
#include <protocols/antibody2/AntibodyInfo.fwd.hh>
#include <protocols/loops/Loop.hh>
#include <protocols/moves/Mover.hh>



using namespace core;
namespace protocols {
namespace antibody2 {





//////////////////////////////////////////////////////////////////////////
/// @brief H3 CDR, Fragment Insertion and CCD
/// @details
class H3CterInsert : public protocols::moves::Mover {

public:
    /// @brief default constructor
  H3CterInsert();

  /// @brief constructor with arguments
  H3CterInsert(antibody2::AntibodyInfoOP antibody_info, bool camelid );


  /// @brief default destructor
  ~H3CterInsert();

    void set_default();

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

    // read CDR H3 C-terminal fragments (size: 4)
    void read_H3_cter_fragment();


private:

    // CDR H3 C-terminal fragments
  utility::vector1< core::fragment::FragData > H3_base_library_;

    AntibodyInfoOP ab_info_;

    bool user_defined_;

    /// @brief benchmark flag
  bool benchmark_;

    /// @brief is camelid antibody without light chain
  bool is_camelid_;


    void init(AntibodyInfoOP antibody_info, bool camelid, bool benchmark);
//    void setup_objects();
//    void finalize_setup( core::pose::Pose & pose );


    std::string H3_ter_library_filename_;

};






}//antibody2
}//protocols

#endif