PC-Atoms

Defined in file pcsubstance.asn
C++ class: CPC_Atoms


PC-Atoms ::= SEQUENCE {
    --  [Note: Parallel Arrays must be kept Synchronized]
    aid            SEQUENCE OF INTEGER,                    -- Atom Identifiers (vector)
                                                           --   Note: Atom ID's must be greater than "0"
    element        SEQUENCE OF PC-Element,                 -- Atomic Numbers (vector)

    -- Independent Arrays of ID-Value Pairs  (Technically allows multiple values per Atom)
    label          SEQUENCE OF PC-AtomString     OPTIONAL, -- Atom labels
    isotope        SEQUENCE OF PC-AtomInt        OPTIONAL, -- Isotopic Information
    charge         SEQUENCE OF PC-AtomInt        OPTIONAL, -- Formal Charges
    radical        SEQUENCE OF PC-AtomRadical    OPTIONAL, -- Radical Information
    source         SEQUENCE OF PC-AtomSource     OPTIONAL, -- E.g. identity of MMDB "R" groups
    comment        SEQUENCE OF PC-AtomString     OPTIONAL  -- Atom Comments
}