<xsd:complexType name="pdbx_nmr_refineType">
<xsd:annotation>
<xsd:documentation xml:lang="en">Describe the method and details of the refinement of the deposited structure. This example is drawn from the MCP-1 structure. <PDBx:pdbx_nmr_refineCategory> <PDBx:pdbx_nmr_refine entry_id="1ABC"> <PDBx:method>torsion angle dynamics</PDBx:method> </PDBx:pdbx_nmr_refine> </PDBx:pdbx_nmr_refineCategory></xsd:documentation>
</xsd:annotation>
<xsd:sequence>
<xsd:element name="pdbx_nmr_refine" 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">Additional details about the NMR refinement. Additional comments about the NMR refinement can be placed here, e.g. the structures are based on a total of 3344 restraints, 3167 are NOE-derived distance constraints, 68 dihedral angle restraints,109 distance restraints from hydrogen bonds.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="method" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The method used to determine the structure. distance geometry simulated annealing molecular dynamics matrix relaxation torsion angle dynamics</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="software_ordinal" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">Pointer to pdbx_nmr_software.ordinal</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">You can leave this blank as an ID will be assigned by the RCSB to the constraint file.</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
</xsd:complexType>
</xsd:element>
</xsd:sequence>
</xsd:complexType> |