<xsd:complexType name="struct_ncs_operType">
<xsd:annotation>
<xsd:documentation xml:lang="en">Data items in the STRUCT_NCS_OPER category describe the noncrystallographic symmetry operations. Each operator is specified as a matrix and a subsequent translation vector. Operators need not represent proper rotations. Example 1 - based on laboratory records for the protein NS1. <PDBx:struct_ncs_operCategory> <PDBx:struct_ncs_oper id="ncsop1"> <PDBx:code>given</PDBx:code> <PDBx:details> Matrix and translation vector for pseudo-twofold operation.</PDBx:details> <PDBx:matrix11>0.247</PDBx:matrix11> <PDBx:matrix12>0.935</PDBx:matrix12> <PDBx:matrix13>0.256</PDBx:matrix13> <PDBx:matrix21>0.929</PDBx:matrix21> <PDBx:matrix22>0.153</PDBx:matrix22> <PDBx:matrix23>0.337</PDBx:matrix23> <PDBx:matrix31>0.276</PDBx:matrix31> <PDBx:matrix32>0.321</PDBx:matrix32> <PDBx:matrix33>-0.906</PDBx:matrix33> <PDBx:vector1>-8.253</PDBx:vector1> <PDBx:vector2>-11.743</PDBx:vector2> <PDBx:vector3>-1.782</PDBx:vector3> </PDBx:struct_ncs_oper> </PDBx:struct_ncs_operCategory></xsd:documentation>
</xsd:annotation>
<xsd:sequence>
<xsd:element name="struct_ncs_oper" minOccurs="0" maxOccurs="unbounded">
<xsd:complexType>
<xsd:all>
<xsd:element name="code" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">A code to indicate whether this operator describes a relationship between coordinates all of which are given in the data block (in which case the value of code is 'given'), or whether the operator is used to generate new coordinates from those that are given in the data block (in which case the value of code is 'generate').</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="given"/>
<xsd:enumeration value="generate"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A description of special aspects of the noncrystallographic symmetry operator. The operation is given as a precise threefold rotation, despite the fact the best rms fit between domain 1 and domain 2 yields a rotation of 119.7 degrees and a translation of 0.13 angstroms.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix11" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [1][1] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix12" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [1][2] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix13" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [1][3] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix21" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [2][1] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix22" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [2][2] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix23" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [2][3] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix31" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [3][1] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix32" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [3][2] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="matrix33" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [3][3] element of the 3x3 matrix component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="vector1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [1] element of the three-element vector component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="vector2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [2] element of the three-element vector component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="vector3" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
<xsd:annotation>
<xsd:documentation xml:lang="en">The [3] element of the three-element vector component of a noncrystallographic symmetry operation.</xsd:documentation>
</xsd:annotation>
</xsd:element>
</xsd:all>
<xsd:attribute name="id" use="required" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The value of attribute id in category struct_ncs_oper must uniquely identify a record in the STRUCT_NCS_OPER list. Note that this item need not be a number; it can be any unique identifier.</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
</xsd:complexType>
</xsd:element>
</xsd:sequence>
</xsd:complexType> |