Data items in the CHEM_COMP_IDENTIFIER category provide identifiers for chemical components. Example 1 - <PDBx:pdbx_chem_comp_identifierCategory> <PDBx:pdbx_chem_comp_identifier comp_id="ATP" program="ACDLabs" program_version="10.04" type="SYSTEMATIC NAME"> <PDBx:identifier>adenosine 5'-(tetrahydrogen triphosphate)</PDBx:identifier> </PDBx:pdbx_chem_comp_identifier> </PDBx:pdbx_chem_comp_identifierCategory> |
<xsd:complexType name="pdbx_chem_comp_identifierType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the CHEM_COMP_IDENTIFIER category provide identifiers for chemical components. Example 1 - <PDBx:pdbx_chem_comp_identifierCategory> <PDBx:pdbx_chem_comp_identifier comp_id="ATP" program="ACDLabs" program_version="10.04" type="SYSTEMATIC NAME"> <PDBx:identifier>adenosine 5'-(tetrahydrogen triphosphate)</PDBx:identifier> </PDBx:pdbx_chem_comp_identifier> </PDBx:pdbx_chem_comp_identifierCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_chem_comp_identifier" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="identifier" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item contains the identifier value for this component.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="ordinal" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">Ordinal index for this category.</xsd:documentation> </xsd:annotation> </xsd:element> </xsd:all> <xsd:attribute name="comp_id" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category chem_comp in the CHEM_COMP category.</xsd:documentation> </xsd:annotation> </xsd:attribute> <xsd:attribute name="program" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item contains the name of the program or library used to compute the identifier. OpenEye OECHEM program OPENEYE Daylight program library DAYLIGHT Advanced Chemistry Development Naming Program ACD Belstein AutoNom Naming Program AUTONOM Compound identifier PUBCHEM_CID Substance identifier PUBCHEM_SID Other program or library OTHER Non-programmatic identifier NONE</xsd:documentation> </xsd:annotation> </xsd:attribute> <xsd:attribute name="program_version" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item contains the version of the program or library used to compute the identifier.</xsd:documentation> </xsd:annotation> </xsd:attribute> <xsd:attribute name="type" use="required"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item contains the identifier type.</xsd:documentation> </xsd:annotation> <xsd:simpleType> <xsd:restriction base="xsd:string"> <xsd:enumeration value="COMMON NAME"/> <xsd:enumeration value="SYSTEMATIC NAME"/> <xsd:enumeration value="CAS REGISTRY NUMBER"/> <xsd:enumeration value="PUBCHEM Identifier"/> <xsd:enumeration value="MDL Identifier"/> <xsd:enumeration value="SYNONYM"/> </xsd:restriction> </xsd:simpleType> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |