PDBx:refine_B_isoType

<xsd:complexType name="refine_B_isoType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the REFINE_B_ISO category record details about the treatment of isotropic B factors (displacement parameters) during refinement. Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. <PDBx:refine_B_isoCategory> <PDBx:refine_B_iso class="protein" pdbx_refine_id="X-ray"> <PDBx:treatment>isotropic</PDBx:treatment> </PDBx:refine_B_iso> <PDBx:refine_B_iso class="solvent" pdbx_refine_id="X-ray"> <PDBx:treatment>isotropic</PDBx:treatment> </PDBx:refine_B_iso> <PDBx:refine_B_iso class="inhibitor" pdbx_refine_id="X-ray"> <PDBx:treatment>isotropic</PDBx:treatment> </PDBx:refine_B_iso> </PDBx:refine_B_isoCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="refine_B_iso" 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 special aspects of the isotropic B-factor (displacement-parameter) refinement for the class of atoms described in attribute class in category refine_B_iso. The temperature factors of atoms in the side chain of Arg 92 were held fixed due to unstable behavior in refinement.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="treatment" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The treatment of isotropic B-factor (displacement-parameter) refinement for a class of atoms defined in attribute class in category refine_B_iso.</xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
              <xsd:restriction base="xsd:string">
                <xsd:enumeration value="fixed"/>
                <xsd:enumeration value="isotropic"/>
                <xsd:enumeration value="anisotropic"/>
              </xsd:restriction>
            </xsd:simpleType>
          </xsd:element>
          <xsd:element name="value" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of the isotropic B factor (displacement parameter) assigned to a class of atoms defined in attribute class. in category refine_B_iso Meaningful only for atoms with fixed isotropic B factors.</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="angstroms_squared" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="class" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">A class of atoms treated similarly for isotropic B-factor (displacement-parameter) refinement. all protein solvent sugar-phosphate backbone</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="pdbx_refine_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">This data item uniquely identifies a refinement within an entry. attribute pdbx_refine_id in category refine_B_iso can be used to distinguish the results of joint refinements.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>