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:
27  virtual ~Receptor();
30  vector<FlexDefinition> getFlexDefinitions();
31 
37 
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::getFlexDefinition
FlexDefinition getFlexDefinition(Position i)
BALL::Receptor::flexinfo_
vector< FlexDefinition > flexinfo_
Definition: receptor.h:44
BALL::FlexibleMolecule
Definition: flexibleMolecule.h:23
BALL::Protein
Definition: protein.h:30
BALL::Receptor::Receptor
Receptor(Protein *p)
BALL
Definition: constants.h:13
BALL::Receptor::setFlexDefinition
void setFlexDefinition(Position i, FlexDefinition &fd)
BALL::Receptor::Receptor
Receptor()
protein.h
BALL_SIZE_TYPE
flexibleMolecule.h
BALL::Receptor::addConformation
void addConformation(Conformation *conf)
PDBAtom.h
hashSet.h
BALL::Conformation
Definition: conformation.h:25
BALL::Receptor::~Receptor
virtual ~Receptor()
BALL::Receptor
Definition: receptor.h:23
BALL::Receptor::addFlexConformation
void addFlexConformation(Conformation *conf, FlexDefinition &fd)
BALL::FlexDefinition
Definition: flexDefinition.h:18
BALL::Receptor::getFlexDefinitions
vector< FlexDefinition > getFlexDefinitions()
flexDefinition.h
conformation.h