ResiduesBuildingInfo

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KEYWORD

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AUTHORS

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CHANGES LOG

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GOALS

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USAGE

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const char AA_NAMES[20][5];

    static const char AA_NAMES[20][5];

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enum RESIDUE_POSITION_TYPE ;

    enum RESIDUE_POSITION_TYPE
    {
        MIDDLE_RESIDUE = 0, CTR_RESIDUE, NTR_RESIDUE, NO_NEXT_RESIDUE, NO_PREV_RESIDUE
    };

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enum ATOM_PROPERTY

    enum ATOM_PROPERTY
    {
        AP_CHARGED=0, AP_OTHER  

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struct RESIDUE_INFO

    struct RESIDUE_INFO
    {

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RESIDUE_INFO() ;

        RESIDUE_INFO()  ;

Function is currently defined inline.

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RESIDUE_INFO(unsigned short resSeq , string origResSeq, RESIDUE_INDEX resType, RESIDUE_POSITION_TYPE resPositionType ) ;

        RESIDUE_INFO(unsigned short resSeq , string origResSeq, RESIDUE_INDEX resType, RESIDUE_POSITION_TYPE resPositionType = MIDDLE_RESIDUE) 
        ;

Function is currently defined inline.

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RESIDUE_INFO(const RESIDUE_INFO& res) ;

        RESIDUE_INFO(const RESIDUE_INFO& res)                                                                                                                                                                ;

Function is currently defined inline.

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unsigned short sequence;

        unsigned short sequence;

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string origSequence;

        string origSequence;

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RESIDUE_INDEX type;

        RESIDUE_INDEX type;

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RESIDUE_POSITION_TYPE position;

        RESIDUE_POSITION_TYPE position;

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struct ATOM_INFO

  struct ATOM_INFO {

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ATOM_INFO() ;

    ATOM_INFO()   
;

Function is currently defined inline.

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ATOM_INFO(unsigned int atomGlobSeq,unsigned int atomNatSeq, RESIDUE_INFO resInfo, unsigned short atomIndexInRes) ;

    ATOM_INFO(unsigned int atomGlobSeq,unsigned int atomNatSeq, RESIDUE_INFO resInfo, unsigned short atomIndexInRes)
      ;

Function is currently defined inline.

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unsigned int atomGlobalSeq;

    unsigned int atomGlobalSeq;         // global sequence for all copies of atoms in different conformers

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unsigned int atomNativeSeq;

    unsigned int atomNativeSeq;

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RESIDUE_INFO residueInfo;

    RESIDUE_INFO residueInfo;

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unsigned short atomIndexInResidue;

    unsigned short atomIndexInResidue;

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void setChemLib(const ChemLib* chemLibPtr) ;

  inline static void setChemLib(const ChemLib* chemLibPtr)                                  
;

Function is currently defined inline.

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void setPDBConvention(const string& fileName)

  inline static void setPDBConvention(const string& fileName)
                                                                                                                                                                                                                   

Function is currently defined inline.

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bool isPDBConventionSet()

    inline static bool isPDBConventionSet()
                                                        

Function is currently defined inline.

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void getAtomName(const string& resName, const string& atomName, string& outAtomName) ;

    inline static void getAtomName(const string& resName, const string& atomName, string& outAtomName)
                                        ;

Function is currently defined inline.

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void desctruct() ;

    inline static void desctruct()
                                           
;

Function is currently defined inline.

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unsigned short sizeOf(const RESIDUE_INFO& residueType) ;

    inline static unsigned short sizeOf(const RESIDUE_INFO& residueType)                                                               ;

Function is currently defined inline.

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short getCA_IndexOf(const RESIDUE_INFO& residueType) ;

    inline static short getCA_IndexOf(const RESIDUE_INFO& residueType)                                                                    ;

Function is currently defined inline.

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short getCB_IndexOf(const RESIDUE_INFO& residueType) ;

    inline static short getCB_IndexOf(const RESIDUE_INFO& residueType)                                                                    ;

Function is currently defined inline.

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short getN_IndexOf(const RESIDUE_INFO& residueType) ;

    inline static short getN_IndexOf(const RESIDUE_INFO& residueType)                                                                   ;

Function is currently defined inline.

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vector< unsigned short> getChisAtomsIndecesOf(const RESIDUE_INFO& residueType);

    inline static vector< unsigned short> getChisAtomsIndecesOf(const RESIDUE_INFO& residueType);

Function is currently defined inline.

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string getNameOf(const ATOM_INFO& atomInResidue);

    inline static string getNameOf(const ATOM_INFO& atomInResidue);

Function is currently defined inline.

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bool isBonded(const ATOM_INFO& atom1InResidue, const ATOM_INFO& atom2InResidue);

    inline static bool isBonded(const ATOM_INFO& atom1InResidue, const ATOM_INFO& atom2InResidue);

Function is currently defined inline.

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ATOM_PROPERTY getPropertyOf(const ATOM_INFO& atomInResidue);

    inline static ATOM_PROPERTY getPropertyOf(const ATOM_INFO& atomInResidue);

Function is currently defined inline.

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All Members

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Ancestors

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Descendants

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