element torsion

element {http://www.xml-cml.org/schema/cml2/core}torsion

Type Heirarchy
{http://www.w3.org/2001/XMLSchema}float (by restriction)
 {http://www.xml-cml.org/schema/cml2/core}torsionAngleType (by extension)
  {http://www.xml-cml.org/schema/cml2/core}torsion
Abstractfalse (This can be used in an instance)
Nillablefalse (Instance values cannot use xsi:nil)
Target Namespacehttp://www.xml-cml.org/schema/cml2/core
Declared Namespacesxmlns:val=http://www.w3.org/1999/XSL/TransformX
xmlns:stm=http://www.xml-cml.org/schema/stmml
xmlns:xsd=http://www.w3.org/2001/XMLSchema
xmlns:xlink=http://www.w3.org/1999/xlink
xmlns:cml=http://www.xml-cml.org/schema/cml2/core
xmlns=http://www.xml-cml.org/schema/cml2/core


Source

<xsd:element name="torsion" id="el.torsion">
    <
xsd:annotation>
        <
xsd:documentation>
            <
div class="summary">A torsion angle ("dihedral") between 4 distinct atoms.</div>
            <
div class="description">
                <
p>
The atoms need not
be formally bonded. It can be used for:
                
</p>
                <
ul>
                    <
li>
Recording experimentally determined torsion angles (e.g. in
a crystallographic paper).
                    
</li>
                    <
li>
Providing the torsion component for internal coordinates (e.g.
z-matrix).
                    
</li>
                </
ul>
                <
p>Note that the order of atoms is important.</p>
            </
div>
            <
div class="example">
                <
pre>
<molecule id="m1">
<atomArray atomID="a1 a2 a3 a4"/>
<torsion atomRefs4="a4 a2 a3 a1" units="degrees">123</torsion>
</molecule>
                
</pre>
            </
div>
        </
xsd:documentation>
    </
xsd:annotation>
    <
xsd:complexType>
        <
xsd:simpleContent>
            <
xsd:extension base="torsionAngleType">
                <
xsd:attributeGroup ref="tit_id_conv_dictGroup"/>
                <
xsd:attributeGroup ref="atomRefs4"/>
                <
xsd:attributeGroup ref="units"/>
                <
xsd:attributeGroup ref="errorValue"/>
                <
xsd:attributeGroup ref="errorBasis"/>
                <
xsd:attributeGroup ref="min"/>
                <
xsd:attributeGroup ref="max"/>
                <
xsd:attributeGroup ref="ref">
<!--
<xsd:annotation>
<xsd:documentation>
<div class="summary">A reference to an exitsing torsion. </div>
<div class="description">Available for subclassing to provide alternative torsions for conformations. </div>
</xsd:documentation>
</xsd:annotation>
-->
                </
xsd:attributeGroup>
            </
xsd:extension>
        </
xsd:simpleContent>
    </
xsd:complexType>
</
xsd:element>


Documentation

A torsion angle ("dihedral") between 4 distinct atoms.

The atoms need not be formally bonded. It can be used for:

Note that the order of atoms is important.

<molecule id="m1">
  <atomArray atomID="a1 a2 a3 a4"/>
  <torsion atomRefs4="a4 a2 a3 a1" units="degrees">123</torsion>
</molecule>
    


element torsion


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