<xsd:complexType name="chem_link_torType">
<xsd:annotation>
<xsd:documentation xml:lang="en">Data items in the CHEM_LINK_TOR category record details about the torsion angles in a link between two chemical components. As torsion angles can have more than one target value, the target values are specified in the CHEM_LINK_TOR_VALUE category.</xsd:documentation>
</xsd:annotation>
<xsd:sequence>
<xsd:element name="chem_link_tor" minOccurs="0" maxOccurs="unbounded">
<xsd:complexType>
<xsd:all>
<xsd:element name="atom_1_comp_id" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">This data item indicates whether atom 1 is found in the first or the second of the two components connected by the link.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="1"/>
<xsd:enumeration value="2"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="atom_2_comp_id" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">This data item indicates whether atom 2 is found in the first or the second of the two components connected by the link.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="1"/>
<xsd:enumeration value="2"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="atom_3_comp_id" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">This data item indicates whether atom 3 is found in the first or the second of the two components connected by the link.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="1"/>
<xsd:enumeration value="2"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="atom_4_comp_id" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">This data item indicates whether atom 4 is found in the first or the second of the two components connected by the link.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="1"/>
<xsd:enumeration value="2"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="atom_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The ID of the first of the four atoms that define the torsion angle. As this data item does not point to a specific atom in a specific chemical component, it is not a child in the linkage sense.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="atom_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The ID of the second of the four atoms that define the torsion angle. As this data item does not point to a specific atom in a specific chemical component, it is not a child in the linkage sense.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="atom_id_3" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The ID of the third of the four atoms that define the torsion angle. As this data item does not point to a specific atom in a specific chemical component, it is not a child in the linkage sense.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="atom_id_4" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The ID of the fourth of the four atoms that define the torsion angle. As this data item does not point to a specific atom in a specific chemical component, it is not a child in the linkage sense.</xsd:documentation>
</xsd:annotation>
</xsd:element>
</xsd:all>
<xsd:attribute name="id" use="required" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The value of attribute id in category chem_link_tor must uniquely identify a record in the CHEM_LINK_TOR list.</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
<xsd:attribute name="link_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_link in the CHEM_LINK category.</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
</xsd:complexType>
</xsd:element>
</xsd:sequence>
</xsd:complexType> |