Documentation for Chemical Markup Language (CML)
Definition Type: Element
Name: transitionState
Namespace: http://www.xml-cml.org/schema
Containing Schema: schema.xsd
Abstract
Documentation:
The transition state in a reaction. This will normally contain a molecule which in its 2D representation will have partial bonds. These are yet to be formalized for the molecule element. Although spectators may stabilise or otherwise interact with the transitionState they are not contained within it. A propertyList is provided to capture transitionState properties. Still experimental.
Collapse XSD Schema Diagram:
Drilldown into propertyList in schema schema_xsd Drilldown into molecule in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into title in schema schema_xsd Drilldown into title in schema schema_xsdXSD Diagram of transitionState in schema schema_xsd (Chemical Markup Language (CML))
Collapse XSD Schema Code: 
<xsd:element name="transitionState" id="el.transitionState">
    <xsd:annotation>
        <xsd:documentation>
            <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">The transition state in a reaction.</h:div>
            <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">
                <h:p>This will normally contain a <h:tt>molecule</h:tt> which in its 2D representation will have partial bonds. These are yet to be formalized for the <h:tt>molecule</h:tt> element.</h:p>
                <h:p>Although spectators may stabilise or otherwise interact with the transitionState they are not contained within it.</h:p>
                <h:p>A <h:tt>propertyList</h:tt> is provided to capture transitionState properties.</h:p>
                <h:p>Still experimental.</h:p>
            </h:div>
            <h:div class="example" href="transitionState1.xml" xmlns:h="http://www.w3.org/1999/xhtml" />
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:sequence>
            <xsd:element ref="molecule" />
            <xsd:element ref="propertyList" minOccurs="0" />
        </xsd:sequence>
        <xsd:attributeGroup ref="title" />
        <xsd:attributeGroup ref="id" />
        <xsd:attributeGroup ref="convention" />
        <xsd:attributeGroup ref="dictRef" />
    </xsd:complexType>
</xsd:element>
Collapse Child Elements:
Name Type Min Occurs Max Occurs
molecule nsA:molecule (1) (1)
propertyList nsA:propertyList 0 (1)
Collapse Child Attributes:
Name Type Default Value Use
title nsA:title (Optional)
id nsA:id (Optional)
convention nsA:convention (Optional)
dictRef nsA:dictRef (Optional)
Documentation for Chemical Markup Language (CML)

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