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

Public Types

enum  eLP { NONE , PLANE , LONEPAIR }
 

Public Member Functions

 InteractionCenter (Atom *pAtom1=nullptr, Atom *pAtom2=nullptr, Atom *pAtom3=nullptr, eLP LP=NONE)
 
Atom * GetAtom1Ptr () const
 
Atom * GetAtom2Ptr () const
 
Atom * GetAtom3Ptr () const
 
eLP LP () const
 
AtomRList GetAtomList () const
 
bool isSelected () const
 

Friends

void to_json (json &j, const InteractionCenter &interactionCenter)
 
void from_json (const json &j, InteractionCenter &interactionCenter)
 
The documentation for this class was generated from the following files:
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