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: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> |