PDBx:pdbx_xplor_fileType

Parameter and topology files used in X-PLOR/CNS refinement.
<PDBx:pdbx_xplor_fileCategory>
   <PDBx:pdbx_xplor_file pdbx_refine_id="x-ray" serial_no="1">
      <PDBx:param_file>parm_hol.dat</PDBx:param_file>
      <PDBx:topol_file>topol_hol.dat</PDBx:topol_file>
   </PDBx:pdbx_xplor_file>
</PDBx:pdbx_xplor_fileCategory>

Complex Type Information

Model

Used By

Source

<xsd:complexType name="pdbx_xplor_fileType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Parameter and topology files used in X-PLOR/CNS refinement. <PDBx:pdbx_xplor_fileCategory> <PDBx:pdbx_xplor_file pdbx_refine_id="x-ray" serial_no="1"> <PDBx:param_file>parm_hol.dat</PDBx:param_file> <PDBx:topol_file>topol_hol.dat</PDBx:topol_file> </PDBx:pdbx_xplor_file> </PDBx:pdbx_xplor_fileCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_xplor_file" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="param_file" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Parameter file name in X-PLOR/CNS refinement. PARAM_NDBX_HIGH.DNA</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="topol_file" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Topology file name in X-PLOR/CNS refinement. TOP_NDBX.DNA</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
        </xsd:all>
        <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 pdbx_xplor_file can be used to distinguish the results of joint refinements.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="serial_no" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">Serial number.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>