BALL  1.5.0
flexDefinition.h
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1 // ----------------------------------------------------
2 // $Maintainer: Marc Röttig $
3 // $Authors: Marc Röttig $
4 // ----------------------------------------------------
5 
6 #ifndef BALL_DOCKING_COMMON_FLEXDEFINITION_H
7 #define BALL_DOCKING_COMMON_FLEXDEFINITION_H
8 
9 #include <BALL/KERNEL/protein.h>
10 
11 namespace BALL
12 {
18  {
19  public:
20 
22  {
23  DUNBRACK = 0,
24  LOVELL
25  };
26 
30 
32 
33 
36 
39  virtual ~FlexDefinition();
40 
44  void addFullyFlexibleResidue(Position idx);
45 
49  vector<Position> getFullyFlexibleResidues() const;
50 
54  void addRotamerFlexibleResidue(Position idx);
55 
59  vector<Position> getRotamerFlexibleResidues() const;
60 
61  private:
62  vector<Position> fully_flexible_;
63  vector<Position> rotamer_flexible_;
64  };
65 }
66 
67 #endif /* BALL_DOCKING_COMMON_FLEXDEFINITION_H */
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::FlexDefinition::Rigid
static FlexDefinition Rigid()
BALL::FlexDefinition::RotamerLibrary
RotamerLibrary
Definition: flexDefinition.h:22
BALL
Definition: constants.h:13
protein.h
BALL_SIZE_TYPE
BALL::FlexDefinition
Definition: flexDefinition.h:18
BALL_CREATE
#define BALL_CREATE(name)
Definition: create.h:62