element csml30:chemicalStructure

diagram

namespace

http://www.csml.org/csml/version3

properties

content

complex

children

csml30:structureData csml30:comments

used by

element

csml30:biologicalProperty

attributes

Name	Type	Use	Default	Fixed	Annotation
structureFormat	derived by: xs:token	required

source

<xs:element name="chemicalStructure">
<xs:complexType>
    <xs:sequence>
      <xs:element ref="csml30:structureData"/>
      <xs:element ref="csml30:comments" minOccurs="0"/>
    </xs:sequence>
    <xs:attribute name="structureFormat" use="required">
      <xs:simpleType>
        <xs:restriction base="xs:token">
          <xs:enumeration value="CML"/>
          <xs:enumeration value="SMILES"/>
          <xs:enumeration value="InChl"/>
        </xs:restriction>
      </xs:simpleType>
    </xs:attribute>
</xs:complexType>
</xs:element>

attribute csml30:chemicalStructure/@structureFormat

type

restriction of xs:token

properties

isRef	0
use	required

facets

enumeration	CML
enumeration	SMILES
enumeration	InChl

source

<xs:attribute name="structureFormat" use="required">
<xs:simpleType>
    <xs:restriction base="xs:token">
      <xs:enumeration value="CML"/>
      <xs:enumeration value="SMILES"/>
      <xs:enumeration value="InChl"/>
    </xs:restriction>
</xs:simpleType>
</xs:attribute>

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