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RDKit
Package rdkit :: Package Chem :: Module rdchem :: Class AtomPDBResidueInfo
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class AtomPDBResidueInfo

 object --+        
          |        
??.instance --+    
              |    
AtomMonomerInfo --+
                  |
                 AtomPDBResidueInfo

The class to store PDB residue information attached to Atoms
Instance Methods [hide private]
 
GetAltLoc(...)
GetAltLoc( (AtomPDBResidueInfo)arg1) -> str :
 
GetChainId(...)
GetChainId( (AtomPDBResidueInfo)arg1) -> str :
 
GetInsertionCode(...)
GetInsertionCode( (AtomPDBResidueInfo)arg1) -> str :
 
GetIsHeteroAtom(...)
GetIsHeteroAtom( (AtomPDBResidueInfo)arg1) -> bool :
 
GetOccupancy(...)
GetOccupancy( (AtomPDBResidueInfo)arg1) -> float :
 
GetResidueName(...)
GetResidueName( (AtomPDBResidueInfo)arg1) -> str :
 
GetResidueNumber(...)
GetResidueNumber( (AtomPDBResidueInfo)arg1) -> int :
 
GetSecondaryStructure(...)
GetSecondaryStructure( (AtomPDBResidueInfo)arg1) -> int :
 
GetSegmentNumber(...)
GetSegmentNumber( (AtomPDBResidueInfo)arg1) -> int :
 
GetSerialNumber(...)
GetSerialNumber( (AtomPDBResidueInfo)arg1) -> int :
 
GetTempFactor(...)
GetTempFactor( (AtomPDBResidueInfo)arg1) -> float :
 
SetAltLoc(...)
SetAltLoc( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetChainId(...)
SetChainId( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetInsertionCode(...)
SetInsertionCode( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetIsHeteroAtom(...)
SetIsHeteroAtom( (AtomPDBResidueInfo)arg1, (bool)arg2) -> None :
 
SetOccupancy(...)
SetOccupancy( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :
 
SetResidueName(...)
SetResidueName( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :
 
SetResidueNumber(...)
SetResidueNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetSecondaryStructure(...)
SetSecondaryStructure( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetSegmentNumber(...)
SetSegmentNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetSerialNumber(...)
SetSerialNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :
 
SetTempFactor(...)
SetTempFactor( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :
 
__init__(...)
__init__( (object)arg1) -> None :

Inherited from AtomMonomerInfo: GetMonomerType, GetName, SetMonomerType, SetName, __reduce__

Inherited from unreachable.instance: __new__

Class Variables [hide private]
  __instance_size__ = 240
Method Details [hide private]

GetAltLoc(...)

  

GetAltLoc( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetAltLoc(RDKit::AtomPDBResidueInfo {lvalue})

GetChainId(...)

  

GetChainId( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetChainId(RDKit::AtomPDBResidueInfo {lvalue})

GetInsertionCode(...)

  

GetInsertionCode( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetInsertionCode(RDKit::AtomPDBResidueInfo {lvalue})

GetIsHeteroAtom(...)

  

GetIsHeteroAtom( (AtomPDBResidueInfo)arg1) -> bool :

    C++ signature :
        bool GetIsHeteroAtom(RDKit::AtomPDBResidueInfo {lvalue})

GetOccupancy(...)

  

GetOccupancy( (AtomPDBResidueInfo)arg1) -> float :

    C++ signature :
        double GetOccupancy(RDKit::AtomPDBResidueInfo {lvalue})

GetResidueName(...)

  

GetResidueName( (AtomPDBResidueInfo)arg1) -> str :

    C++ signature :
        std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetResidueName(RDKit::AtomPDBResidueInfo {lvalue})

GetResidueNumber(...)

  

GetResidueNumber( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        int GetResidueNumber(RDKit::AtomPDBResidueInfo {lvalue})

GetSecondaryStructure(...)

  

GetSecondaryStructure( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        unsigned int GetSecondaryStructure(RDKit::AtomPDBResidueInfo {lvalue})

GetSegmentNumber(...)

  

GetSegmentNumber( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        unsigned int GetSegmentNumber(RDKit::AtomPDBResidueInfo {lvalue})

GetSerialNumber(...)

  

GetSerialNumber( (AtomPDBResidueInfo)arg1) -> int :

    C++ signature :
        int GetSerialNumber(RDKit::AtomPDBResidueInfo {lvalue})

GetTempFactor(...)

  

GetTempFactor( (AtomPDBResidueInfo)arg1) -> float :

    C++ signature :
        double GetTempFactor(RDKit::AtomPDBResidueInfo {lvalue})

SetAltLoc(...)

  

SetAltLoc( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetAltLoc(RDKit::AtomPDBResidueInfo {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

SetChainId(...)

  

SetChainId( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetChainId(RDKit::AtomPDBResidueInfo {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

SetInsertionCode(...)

  

SetInsertionCode( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetInsertionCode(RDKit::AtomPDBResidueInfo {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

SetIsHeteroAtom(...)

  

SetIsHeteroAtom( (AtomPDBResidueInfo)arg1, (bool)arg2) -> None :

    C++ signature :
        void SetIsHeteroAtom(RDKit::AtomPDBResidueInfo {lvalue},bool)

SetOccupancy(...)

  

SetOccupancy( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :

    C++ signature :
        void SetOccupancy(RDKit::AtomPDBResidueInfo {lvalue},double)

SetResidueName(...)

  

SetResidueName( (AtomPDBResidueInfo)arg1, (str)arg2) -> None :

    C++ signature :
        void SetResidueName(RDKit::AtomPDBResidueInfo {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

SetResidueNumber(...)

  

SetResidueNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetResidueNumber(RDKit::AtomPDBResidueInfo {lvalue},int)

SetSecondaryStructure(...)

  

SetSecondaryStructure( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetSecondaryStructure(RDKit::AtomPDBResidueInfo {lvalue},unsigned int)

SetSegmentNumber(...)

  

SetSegmentNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetSegmentNumber(RDKit::AtomPDBResidueInfo {lvalue},unsigned int)

SetSerialNumber(...)

  

SetSerialNumber( (AtomPDBResidueInfo)arg1, (int)arg2) -> None :

    C++ signature :
        void SetSerialNumber(RDKit::AtomPDBResidueInfo {lvalue},int)

SetTempFactor(...)

  

SetTempFactor( (AtomPDBResidueInfo)arg1, (float)arg2) -> None :

    C++ signature :
        void SetTempFactor(RDKit::AtomPDBResidueInfo {lvalue},double)

__init__(...)
(Constructor)

  

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

__init__( (object)arg1, (str)atomName [, (int)serialNumber=1 [, (str)altLoc='' [, (str)residueName='' [, (int)residueNumber=0 [, (str)chainId='' [, (str)insertionCode='' [, (float)occupancy=1.0 [, (float)tempFactor=0.0 [, (bool)isHeteroAtom=False [, (int)secondaryStructure=0 [, (int)segmentNumber=0]]]]]]]]]]]) -> None :

    C++ signature :
        void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,int=1 [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='' [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='' [,int=0 [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='' [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >='' [,double=1.0 [,double=0.0 [,bool=False [,unsigned int=0 [,unsigned int=0]]]]]]]]]]])
Overrides: AtomMonomerInfo.__init__

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