RestrictToCDRH3Loop.hh

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// -*- 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.
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/// @file   protocols/toolbox/task_operations/RestrictToCDRH3Loop.hh
/// @brief  This class allows the selection for packing of the Antibody CDR-H3 loop by taking advantage of the PDB numbering schemes that are commonly used for Antibodies
/// @author Brian D. Weitzner (brian.weitzner@gmail.com)

#ifndef INCLUDED_protocols_toolbox_task_operations_RestrictToCDRH3Loop_hh
#define INCLUDED_protocols_toolbox_task_operations_RestrictToCDRH3Loop_hh

// Unit headers
#include <protocols/toolbox/task_operations/RestrictToCDRH3Loop.fwd.hh>
#include <core/pack/task/operation/TaskOperation.hh>

// Project headers
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pose/Pose.fwd.hh>

// Utility headers
#include <utility/tag/Tag.fwd.hh>

// C++ headers
#include <string>


namespace protocols {
namespace toolbox {
namespace task_operations {

class RestrictToCDRH3Loop : public core::pack::task::operation::TaskOperation
{
public:
  typedef core::pack::task::operation::TaskOperation parent;

public:
  RestrictToCDRH3Loop();

  RestrictToCDRH3Loop(RestrictToCDRH3Loop const & src);

  virtual ~RestrictToCDRH3Loop();

  virtual core::pack::task::operation::TaskOperationOP clone() const;

  virtual
  void
  apply(core::pose::Pose const & pose, core::pack::task::PackerTask & task) const;
    
private:
    bool residue_is_in_h3_loop( core::pose::Pose const & pose, Size residue_number ) const;
    
private:
    // These definitions correspond to the AHo numbering scheme.  This could be expanded to other numbering schemes in the future
  static Size const pdb_numbered_h3_loop_start = 107;
    static Size const pdb_numbered_h3_loop_end = 138;
    static char const heavy_chain = 'H';
    
};

} //namespace task_operations
} //namespace toolbox
} //namespace protocols

#endif // include guard