Auxilary parameter and topology files used in refinement. <PDBx:pdbx_refine_aux_fileCategory> <PDBx:pdbx_refine_aux_file pdbx_refine_id="x-ray" serial_no="1"> <PDBx:file_name>parm_hol.dat</PDBx:file_name> <PDBx:file_type>PARAMETER</PDBx:file_type> </PDBx:pdbx_refine_aux_file> </PDBx:pdbx_refine_aux_fileCategory> |
<xsd:complexType name="pdbx_refine_aux_fileType"> <xsd:annotation> <xsd:documentation xml:lang="en">Auxilary parameter and topology files used in refinement. <PDBx:pdbx_refine_aux_fileCategory> <PDBx:pdbx_refine_aux_file pdbx_refine_id="x-ray" serial_no="1"> <PDBx:file_name>parm_hol.dat</PDBx:file_name> <PDBx:file_type>PARAMETER</PDBx:file_type> </PDBx:pdbx_refine_aux_file> </PDBx:pdbx_refine_aux_fileCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_refine_aux_file" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="file_name" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Auxilary file name. PARAM_NDBX_HIGH.DNA</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="file_type" minOccurs="0" maxOccurs="1" nillable="true"> <xsd:annotation> <xsd:documentation xml:lang="en">Auxilary file type. PARAMETER</xsd:documentation> </xsd:annotation> <xsd:simpleType> <xsd:restriction base="xsd:string"> <xsd:enumeration value="PARAMETER"/> <xsd:enumeration value="TOPOLOGY"/> </xsd:restriction> </xsd:simpleType> </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_refine_aux_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> |