RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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Classes | Public Member Functions | Static Public Attributes | Friends | List of all members
rxdock::DockingSite Class Reference

Classes

class  isAtomInRange
 

Public Member Functions

RBTDLL_EXPORT DockingSite (const CavityList &cavList, double border)
 
RBTDLL_EXPORT DockingSite (json j)
 
virtual void Print (std::ostream &s) const
 
RBTDLL_EXPORT RealGridPtr GetGrid ()
 
double GetBorder () const
 
Coord GetMinCoord () const
 
Coord GetMaxCoord () const
 
CavityList GetCavityList () const
 
int GetNumCavities () const
 
RBTDLL_EXPORT double GetVolume () const
 
void GetCoordList (CoordList &retVal) const
 
RBTDLL_EXPORT AtomList GetAtomList (const AtomList &atomList, double minDist, double maxDist)
 
RBTDLL_EXPORT AtomList GetAtomList (const AtomList &atomList, double maxDist)
 
unsigned int GetNumAtoms (const AtomList &atomList, double minDist, double maxDist)
 

Static Public Attributes

static const std::string _CT = "DockingSite"
 

Friends

RBTDLL_EXPORT friend std::ostream & operator<< (std::ostream &s, const DockingSite &site)
 
RBTDLL_EXPORT friend void to_json (json &j, const DockingSite &site)
 
void from_json (const json &j, DockingSite &site)
 
The documentation for this class was generated from the following files:
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