PDBx:valence_param

Element Information

Model

ALL(PDBx:B{0,1} PDBx:Ro{0,1} PDBx:details{0,1} PDBx:id{0,1} PDBx:ref_id{0,1})
Children: PDBx:B, PDBx:Ro, PDBx:details, PDBx:id, PDBx:ref_id

Attributes

QName Type Fixed Default Use Inheritable Annotation
atom_1 xsd:string required 
The element symbol of the first atom forming the bond whose
bond-valence parameters are given in this category.
atom_1_valence xsd:integer required 
The valence (formal charge) of the first atom whose
bond-valence parameters are given in this category.
atom_2 xsd:string required 
The element symbol of the second atom forming the bond whose
bond-valence parameters are given in this category.
atom_2_valence xsd:integer required 
The valence (formal charge) of the second atom whose
bond-valence parameters are given in this category.

Source 

<xsd:element name="valence_param" minOccurs="0" maxOccurs="unbounded">
  <xsd:complexType>
    <xsd:all>
      <xsd:element name="B" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The bond-valence parameter B used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.</xsd:documentation>
        </xsd:annotation>
        <xsd:complexType>
          <xsd:simpleContent>
            <xsd:extension base="xsd:decimal">
              <xsd:attribute fixed="angstroms" name="units" type="xsd:string" use="optional"/>
            </xsd:extension>
          </xsd:simpleContent>
        </xsd:complexType>
      </xsd:element>
      <xsd:element name="Ro" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The bond-valence parameter Ro used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.</xsd:documentation>
        </xsd:annotation>
        <xsd:complexType>
          <xsd:simpleContent>
            <xsd:extension base="xsd:decimal">
              <xsd:attribute fixed="angstroms" name="units" type="xsd:string" use="optional"/>
            </xsd:extension>
          </xsd:simpleContent>
        </xsd:complexType>
      </xsd:element>
      <xsd:element name="details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Details of or comments on the bond-valence parameters.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An identifier for the valence parameters of a bond between the given atoms.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="ref_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">An identifier which links to the reference to the source from which the bond-valence parameters are taken. A child of attribute id in category valence_ref which it must match.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
    </xsd:all>
    <xsd:attribute name="atom_1" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The element symbol of the first atom forming the bond whose bond-valence parameters are given in this category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
    <xsd:attribute name="atom_1_valence" use="required" type="xsd:integer">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The valence (formal charge) of the first atom whose bond-valence parameters are given in this category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
    <xsd:attribute name="atom_2" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The element symbol of the second atom forming the bond whose bond-valence parameters are given in this category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
    <xsd:attribute name="atom_2_valence" use="required" type="xsd:integer">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">The valence (formal charge) of the second atom whose bond-valence parameters are given in this category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
  </xsd:complexType>
</xsd:element>

Sample