PDBx:refine_occupancy

Element Information

Model

ALL(PDBx:details{0,1} PDBx:treatment{0,1} PDBx:value{0,1})
Children: PDBx:details, PDBx:treatment, PDBx:value

Attributes

QName Type Fixed Default Use Inheritable Annotation
class xsd:string required 
The class of atoms treated similarly for occupancy refinement.
all
protein
solvent
sugar-phosphate backbone
pdbx_refine_id xsd:string required 
This data item uniquely identifies a refinement within an entry.
attribute pdbx_refine_id in category refine_occupancy can be used to distinguish the results 
 of joint refinements.

Source 

<xsd:element name="refine_occupancy" 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 occupancy refinement for a class of atoms described in attribute class in category refine_occupancy. The inhibitor binds to the enzyme in two alternative conformations. The occupancy of each conformation was adjusted so as to result in approximately equal mean thermal factors for the atoms in each conformation.</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 occupancies for a class of atoms described in attribute class in category refine_occupancy.</xsd:documentation>
        </xsd:annotation>
        <xsd:simpleType>
          <xsd:restriction base="xsd:string">
            <xsd:enumeration value="fix"/>
            <xsd:enumeration value="ref"/>
          </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 occupancy assigned to a class of atoms defined in attribute class in category refine_occupancy. Meaningful only for atoms with fixed occupancy. 1.0 0.41</xsd:documentation>
        </xsd:annotation>
        <xsd:simpleType>
          <xsd:restriction base="xsd:decimal">
            <xsd:minInclusive value="0.0"/>
            <xsd:maxInclusive value="1.0"/>
          </xsd:restriction>
        </xsd:simpleType>
      </xsd:element>
    </xsd:all>
    <xsd:attribute name="class" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The class of atoms treated similarly for occupancy 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_occupancy can be used to distinguish the results of joint refinements.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
  </xsd:complexType>
</xsd:element>

Sample