PDBx:pdbx_validate_symm_contactType

<xsd:complexType name="pdbx_validate_symm_contactType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the PDBX_VALIDATE_SYMM_CONTACT category list the atoms within the entry that are in close contact with regard the distances expected from either covalent bonding or closest approach by van der Waals contacts. Contacts with for symmetry related contacts are considered. For those contacts not involving hydrogen a limit of 2.2 Angstroms is used. For contacts involving a hydrogen atom a cutoff of 1.6Angstrom is used. Example 1 <PDBx:pdbx_validate_symm_contactCategory> <PDBx:pdbx_validate_symm_contact id="1"> <PDBx:PDB_ins_code_1 xsi:nil="true" /> <PDBx:PDB_ins_code_2 xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id_1 xsi:nil="true" /> <PDBx:auth_asym_id_2 xsi:nil="true" /> <PDBx:auth_atom_id_1>O</PDBx:auth_atom_id_1> <PDBx:auth_atom_id_2>O</PDBx:auth_atom_id_2> <PDBx:auth_comp_id_1>HOH</PDBx:auth_comp_id_1> <PDBx:auth_comp_id_2>HOH</PDBx:auth_comp_id_2> <PDBx:auth_seq_id_1>70</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>70</PDBx:auth_seq_id_2> <PDBx:dist>2.05</PDBx:dist> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> <PDBx:site_symmetry_1>1555</PDBx:site_symmetry_1> <PDBx:site_symmetry_2>7555</PDBx:site_symmetry_2> </PDBx:pdbx_validate_symm_contact> </PDBx:pdbx_validate_symm_contactCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_validate_symm_contact" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="PDB_ins_code_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Optional identifier of the first of the two atom sites that define the close contact.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="PDB_ins_code_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Optional identifier of the second of the two atom sites that define the close contact.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="PDB_model_num" minOccurs="1" maxOccurs="1" type="xsd:integer">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The model number for the given angle</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="auth_asym_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the close 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="auth_asym_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the close 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="auth_atom_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the close 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="auth_atom_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the close 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="auth_comp_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the close 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="auth_comp_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the close 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="auth_seq_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the close 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="auth_seq_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the close 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="dist" minOccurs="1" maxOccurs="1">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of the close contact for the two atoms defined.</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="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 atoms that define the close 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="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 atoms that define the close 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="site_symmetry_1" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The symmetry of the first of the two atoms define the close contact. Symmetry defined in ORTEP style of 555 equal to unit cell with translations +-1 from 555 as 000</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="site_symmetry_2" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The symmetry of the second of the two atoms define the close contact. Symmetry defined in ORTEP style of 555 equal to unit cell with translations +-1 from 555 as 000</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="id" use="required" type="xsd:integer">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">The value of attribute id in category pdbx_validate_symm_contact must uniquely identify each item in the PDBX_VALIDATE_SYMM_CONTACT list. This is an integer serial number.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>