PDBx:geom_bond

Element Information

Model

Attributes

QName Type Fixed Default Use Inheritable Annotation
atom_site_id_1 xsd:string required
The identifier of the first of the two atom sites that define the
bond.

This data item is a pointer to attribute id in category atom_site in the ATOM_SITE
 category.
atom_site_id_2 xsd:string required
The identifier of the second of the two atom sites that define
the bond.

This data item is a pointer to attribute id in category atom_site in the ATOM_SITE
 category.
site_symmetry_1 xsd:string required
The symmetry code of the first of the two atom sites that
define the bond.
4th symmetry operation applied
4
7th symm. posn.; +a on x; -b on y
7_645
site_symmetry_2 xsd:string required
The symmetry code of the second of the two atom sites that
define the bond.
4th symmetry operation applied
4
7th symm. posn.; +a on x; -b on y
7_645

Source

<xsd:element name="geom_bond" minOccurs="0" maxOccurs="unbounded">
  <xsd:complexType>
    <xsd:all>
      <xsd:element name="atom_site_auth_asym_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute auth_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_auth_asym_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute auth_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_auth_atom_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute auth_atom_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_auth_atom_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute auth_atom_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_auth_comp_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute auth_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_auth_comp_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute auth_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_auth_seq_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute auth_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_auth_seq_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute auth_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_alt_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute label_alt_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_alt_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute label_alt_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_asym_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute label_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_asym_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute label_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_atom_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute label_atom_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_atom_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute label_atom_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_comp_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute label_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_comp_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute label_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_seq_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute label_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="atom_site_label_seq_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An optional identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute label_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="dist" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The intramolecular bond distance in angstroms.</xsd:documentation>
        </xsd:annotation>
        <xsd:simpleType>
          <xsd:restriction base="xsd:decimal">
            <xsd:minInclusive value="0.0"/>
          </xsd:restriction>
        </xsd:simpleType>
      </xsd:element>
      <xsd:element name="dist_esd" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The standard uncertainty (estimated standard deviation) of attribute dist in category geom_bond.</xsd:documentation>
        </xsd:annotation>
        <xsd:complexType>
          <xsd:simpleContent>
            <xsd:extension base="xsd:decimal">
              <xsd:attribute fixed="angstroms" name="units" type="xsd:string" use="optional"/>
            </xsd:extension>
          </xsd:simpleContent>
        </xsd:complexType>
      </xsd:element>
      <xsd:element name="pdbx_PDB_model_num" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Pointer to attribute pdbx_PDB_model_num in category atom_site</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="pdbx_atom_site_PDB_ins_code_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Pointer to attribute pdbx_PDB_ins_code in category atom_site.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="pdbx_atom_site_PDB_ins_code_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Pointer to attribute pdbx_PDB_ins_code in category atom_site.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="publ_flag" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">This code signals whether the bond distance is referred to in a publication or should be placed in a list of significant bond distances.</xsd:documentation>
        </xsd:annotation>
        <xsd:simpleType>
          <xsd:restriction base="xsd:string">
            <xsd:enumeration value="no"/>
            <xsd:enumeration value="n"/>
            <xsd:enumeration value="yes"/>
            <xsd:enumeration value="y"/>
          </xsd:restriction>
        </xsd:simpleType>
      </xsd:element>
      <xsd:element name="valence" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The bond valence calculated from attribute dist in category geom_bond.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
    </xsd:all>
    <xsd:attribute name="atom_site_id_1" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The identifier of the first of the two atom sites that define the bond. This data item is a pointer to attribute id in category atom_site in the ATOM_SITE category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
    <xsd:attribute name="atom_site_id_2" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The identifier of the second of the two atom sites that define the bond. This data item is a pointer to attribute id in category atom_site in the ATOM_SITE category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
    <xsd:attribute name="site_symmetry_1" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The symmetry code of the first of the two atom sites that define the bond. 4th symmetry operation applied 4 7th symm. posn.; +a on x; -b on y 7_645</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
    <xsd:attribute name="site_symmetry_2" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The symmetry code of the second of the two atom sites that define the bond. 4th symmetry operation applied 4 7th symm. posn.; +a on x; -b on y 7_645</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
  </xsd:complexType>
</xsd:element>

Sample