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MoveMapBuilder.hh
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2 // vi: set ts=2 noet:
3 //
4 // (c) Copyright Rosetta Commons Member Institutions.
5 // (c) This file is part of the Rosetta software suite and is made available under license.
6 // (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
7 // (c) For more information, see http://www.rosettacommons.org. Questions about this can be
8 // (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.
9 
10 /// @file core/pack/task/ResfileReader.hh
11 /// @brief header of classes for resfile options
12 /// @author Gordon Lemmon
13 
14 #ifndef INCLUDED_protocols_ligand_docking_MoveMapBuilder_hh
15 #define INCLUDED_protocols_ligand_docking_MoveMapBuilder_hh
16 
17 // Unit Headers
19 // AUTO-REMOVED #include <protocols/ligand_docking/ligand_options/Interface.hh>
21 
22 // Package Headers
24 
25 //// Project Headers
26 // AUTO-REMOVED #include <protocols/moves/Mover.hh>
27 
28 //// Scripter Headers
29 #include <utility/tag/Tag.fwd.hh>
30 // AUTO-REMOVED #include <protocols/moves/DataMap.hh>
31 
32 // Utility Headers
33 #include <utility/pointer/ReferenceCount.hh>
34 
35 #include <core/types.hh>
36 #include <core/pose/Pose.fwd.hh>
38 #include <utility/vector1.hh>
39 
40 ///////////////////////////////////////////////////////////////////////
41 
42 namespace protocols {
43 namespace ligand_docking {
44 
45 ///@brief
47 {
48 public:
50  virtual ~MoveMapBuilder();
51  MoveMapBuilder(MoveMapBuilder const & that);
52 
53  void parse_my_tag(
54  utility::tag::TagPtr const tag,
56  );
57 
59  build(core::pose::Pose const &) const;
60 
63 
66 
67  bool minimize_backbone();
68 
69 private:
70  InterfaceBuilderOP sc_interface_builder_; // which side chains to minimize?
71  InterfaceBuilderOP bb_interface_builder_; // which backbone residues to minimize?
72 
74 
75  void
77  core::pose::Pose const & pose,
79  )const;
80 
81  void
82  set_all_bb(
83  core::pose::Pose const & pose,
85  )const;
86 
87 };
88 
89 } //namespace ligand_docking
90 } //namespace protocols
91 
92 #endif