PDBx:geomType

Data items in the GEOM and related (GEOM_ANGLE,
GEOM_BOND, GEOM_CONTACT, GEOM_HBOND and GEOM_TORSION)
categories record details about the molecular
geometry as calculated from the contents of the ATOM, CELL
and SYMMETRY data.

Geometry data are therefore redundant, in that they can be
calculated from other more fundamental quantities in the data
block. However, they provide a check on the correctness of
both sets of data and enable the most important geometric data
to be identified for publication by setting the appropriate
publication flag.

Complex Type Information

Model

Children: PDBx:geom

Used By

Source

<xsd:complexType name="geomType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the GEOM and related (GEOM_ANGLE, GEOM_BOND, GEOM_CONTACT, GEOM_HBOND and GEOM_TORSION) categories record details about the molecular geometry as calculated from the contents of the ATOM, CELL and SYMMETRY data. Geometry data are therefore redundant, in that they can be calculated from other more fundamental quantities in the data block. However, they provide a check on the correctness of both sets of data and enable the most important geometric data to be identified for publication by setting the appropriate publication flag.</xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="geom" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">A description of geometry not covered by the existing data names in the GEOM categories, such as least-squares planes.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="entry_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category entry in the ENTRY category.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>