Package org.rcsb.cif.model.generated

Class PdbxChemCompInstanceDepositorInfo

  • All Implemented Interfaces:
    Category
    @Generated("org.rcsb.cif.generator.SchemaGenerator")
public class PdbxChemCompInstanceDepositorInfo
extends BaseCategory
    Data items in the PDBX_CHEM_COMP_INSTANCE_DEPOSITOR_INFO category records depositor provided information about the chemical context of component instances.

    • Constructor Detail

      • PdbxChemCompInstanceDepositorInfo

        public PdbxChemCompInstanceDepositorInfo​(String name,
                                         Map<String,​Column> columns)

      • PdbxChemCompInstanceDepositorInfo

        public PdbxChemCompInstanceDepositorInfo​(String name,
                                         int rowCount,
                                         Object[] encodedColumns)

      • PdbxChemCompInstanceDepositorInfo

        public PdbxChemCompInstanceDepositorInfo​(String name)

    • Method Detail

      • getOrdinal

        public IntColumn getOrdinal()
        The value of pdbx_chem_comp_instance_depositor_info.ordinal must uniquely identify a record in the PDBX_CHEM_COMP_INSTANCE_DEPOSITOR_INFO list.
        Returns:
        IntColumn

      • getLabelAltId

        public StrColumn getLabelAltId()
        An element of the chemical component instance identifier. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
        Returns:
        StrColumn

      • getCompId

        public StrColumn getCompId()
        An element of the chemical component instance identifier. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn

      • getPDBInsCode

        public StrColumn getPDBInsCode()
        Optional element of the chemical component instance identifier. This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the ATOM_SITE category.
        Returns:
        StrColumn

      • getAuthAsymId

        public StrColumn getAuthAsymId()
        An element of the chemical component instance identifier. This data item corresponds to _atom_site.auth_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn

      • getAuthSeqId

        public StrColumn getAuthSeqId()
        An element of the chemical component instance identifier. This data item corresponds to _atom_site.auth_seq_id in the ATOM_SITE category.
        Returns:
        StrColumn

      • getInPolymerFlag

        public StrColumn getInPolymerFlag()
        A flag to indicate if the chemical component instance is a part of a polymer molecule.
        Returns:
        StrColumn

      • getAuthorProvidedFlag

        public StrColumn getAuthorProvidedFlag()
        A flag to indicate if details about this chemical component instance have been provided by the depositor.
        Returns:
        StrColumn

      • getFormula

        public StrColumn getFormula()
        The observed formula for the chemical component in the deposited coordinates. Formulae are written according to the following rules: (1) Only recognized element symbols may be used. (2) Each element symbol is followed by a 'count' number. A count of '1' may be omitted. (3) A space or parenthesis must separate each cluster of (element symbol + count), but in general parentheses are not used. (4) The order of elements depends on whether carbon is present or not. If carbon is present, the order should be: C, then H, then the other elements in alphabetical order of their symbol. If carbon is not present, the elements are listed purely in alphabetic order of their symbol. This is the 'Hill' system used by Chemical Abstracts.
        Returns:
        StrColumn