PDBx:geom_contactType 

Data items in the GEOM_CONTACT category record details about
interatomic contacts as calculated from the contents
of the ATOM, CELL and SYMMETRY data.

    Example 1 - based on data set CLPHO6 of Ferguson, Ruhl, McKervey & Browne
                 [Acta Cryst. (1992), C48, 2262-2264].
<PDBx:geom_contactCategory>
   <PDBx:geom_contact atom_site_id_1="O(1)" atom_site_id_2="O(2)" site_symmetry_1="1_555" site_symmetry_2="1_555">
      <PDBx:dist>2.735</PDBx:dist>
      <PDBx:dist_esd>0.003</PDBx:dist_esd>
      <PDBx:publ_flag>yes</PDBx:publ_flag>
   </PDBx:geom_contact>
   <PDBx:geom_contact atom_site_id_1="H(O1)" atom_site_id_2="O(2)" site_symmetry_1="1_555" site_symmetry_2="1_555">
      <PDBx:dist>1.82</PDBx:dist>
      <PDBx:dist_esd xsi:nil="true" />
      <PDBx:publ_flag>no</PDBx:publ_flag>
   </PDBx:geom_contact>
</PDBx:geom_contactCategory>

Complex Type Information

Model

PDBx:geom_contact*
Children: PDBx:geom_contact

Used By

Element PDBx:datablockType/PDBx:geom_contactCategory

Source 

<xsd:complexType name="geom_contactType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the GEOM_CONTACT category record details about interatomic contacts as calculated from the contents of the ATOM, CELL and SYMMETRY data. Example 1 - based on data set CLPHO6 of Ferguson, Ruhl, McKervey & Browne [Acta Cryst. (1992), C48, 2262-2264]. <PDBx:geom_contactCategory> <PDBx:geom_contact atom_site_id_1="O(1)" atom_site_id_2="O(2)" site_symmetry_1="1_555" site_symmetry_2="1_555"> <PDBx:dist>2.735</PDBx:dist> <PDBx:dist_esd>0.003</PDBx:dist_esd> <PDBx:publ_flag>yes</PDBx:publ_flag> </PDBx:geom_contact> <PDBx:geom_contact atom_site_id_1="H(O1)" atom_site_id_2="O(2)" site_symmetry_1="1_555" site_symmetry_2="1_555"> <PDBx:dist>1.82</PDBx:dist> <PDBx:dist_esd xsi:nil="true" /> <PDBx:publ_flag>no</PDBx:publ_flag> </PDBx:geom_contact> </PDBx:geom_contactCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="geom_contact" 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 contact. 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 interatomic contact 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_contact.</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 contact distance is referred to in a publication or should be placed in a list of significant contact 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: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 contact. 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 contact. 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 contact. 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 contact. 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>
  </xsd:sequence>
</xsd:complexType>