BALL  1.5.0
receptor.h
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1 // ----------------------------------------------------
2 // $Maintainer: Marc Röttig $
3 // $Authors: Marc Röttig $
4 // ----------------------------------------------------
5 
6 #ifndef BALL_DOCKING_COMMON_RECEPTOR_H
7 #define BALL_DOCKING_COMMON_RECEPTOR_H
8 
9 #include <BALL/KERNEL/protein.h>
10 #include <BALL/KERNEL/PDBAtom.h>
11 #include <BALL/DATATYPE/hashSet.h>
12 
16 
17 namespace BALL
18 {
23  {
24  public:
25  Receptor();
26  Receptor(Protein* p);
27  virtual ~Receptor();
28  FlexDefinition getFlexDefinition(Position i);
29  void setFlexDefinition(Position i, FlexDefinition& fd);
30  vector<FlexDefinition> getFlexDefinitions();
31 
36  void addFlexConformation(Conformation* conf, FlexDefinition &fd);
37 
41  void addConformation(Conformation* conf);
42 
43  protected:
44  vector<FlexDefinition> flexinfo_;
45  };
46 }
47 #endif /* BALL_DOCKING_COMMON_RECEPTOR_H */
BALL_EXPORT
#define BALL_EXPORT
Definition: COMMON/global.h:50
BALL::Receptor
Definition: receptor.h:22
BALL_SIZE_TYPE
BALL::FlexibleMolecule
Definition: flexibleMolecule.h:22
BALL
Definition: constants.h:12
BALL::Protein
Definition: protein.h:28
protein.h
flexibleMolecule.h
PDBAtom.h
hashSet.h
BALL::Conformation
Definition: conformation.h:24
BALL::Receptor::flexinfo_
vector< FlexDefinition > flexinfo_
Definition: receptor.h:44
BALL::FlexDefinition
Definition: flexDefinition.h:17
flexDefinition.h
conformation.h