PDBx:computing

Element Information

Model

ALL(PDBx:cell_refinement{0,1} PDBx:data_collection{0,1} PDBx:data_reduction{0,1} PDBx:molecular_graphics{0,1} PDBx:pdbx_data_reduction_ds{0,1} PDBx:pdbx_data_reduction_ii{0,1} PDBx:pdbx_structure_refinement_method{0,1} PDBx:publication_material{0,1} PDBx:structure_refinement{0,1} PDBx:structure_solution{0,1})
Children: PDBx:cell_refinement, PDBx:data_collection, PDBx:data_reduction, PDBx:molecular_graphics, PDBx:pdbx_data_reduction_ds, PDBx:pdbx_data_reduction_ii, PDBx:pdbx_structure_refinement_method, PDBx:publication_material, PDBx:structure_refinement, PDBx:structure_solution

Attributes

QName Type Fixed Default Use Inheritable Annotation
entry_id xsd:string required 
This data item is a pointer to attribute id in category entry in the ENTRY category.

Source 

<xsd:element name="computing" minOccurs="0" maxOccurs="unbounded">
  <xsd:complexType>
    <xsd:all>
      <xsd:element name="cell_refinement" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Software used for cell refinement. Give the program or package name and a brief reference. CAD4 (Enraf-Nonius, 1989)</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="data_collection" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Software used for data collection. Give the program or package name and a brief reference. CAD4 (Enraf-Nonius, 1989)</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="data_reduction" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Software used for data reduction. Give the program or package name and a brief reference. DIFDAT, SORTRF, ADDREF (Hall & Stewart, 1990)</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="molecular_graphics" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Software used for molecular graphics. Give the program or package name and a brief reference. FRODO (Jones, 1986), ORTEP (Johnson, 1965)</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="pdbx_data_reduction_ds" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Program/package name for data reduction/data scaling</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="pdbx_data_reduction_ii" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Program/package name for data reduction/intensity integration software</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="pdbx_structure_refinement_method" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Program/package name for structure refinement method.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="publication_material" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Software used for generating material for publication. Give the program or package name and a brief reference.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="structure_refinement" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Software used for refinement of the structure. Give the program or package name and a brief reference. SHELX85 (Sheldrick, 1985) X-PLOR (Brunger, 1992)</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="structure_solution" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Software used for solution of the structure. Give the program or package name and a brief reference. SHELX85 (Sheldrick, 1985)</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
    </xsd:all>
    <xsd:attribute name="entry_id" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category entry in the ENTRY category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
  </xsd:complexType>
</xsd:element>

Sample