({{, (RefLink[MoleculeGraph, paclet:ref/MoleculeGraph])[mol] 
returns a graph constructed from the molecule mol.}})

OpenersPrimaryExamplesSection(Spacer1)Examples  (2)

OpenersExampleSection0(Spacer1)Basic Examples  (2)

Create a graph from a molecule:

g = MoleculeGraph[ Molecule[ "adenosine"]]

The returned graph is undirected:

UndirectedGraphQ[g]

Query for the atom and bond properties:

PropertyValue[{g,#},"AtomicNumber"]&/@VertexList[g]

PropertyValue[{g,#},"BondOrder"]&/@EdgeList[g]

Create a graph from only the heavy atoms:

g=MoleculeGraph[ Molecule[ "adenosine"], IncludeHydrogens->False]

({{DocumentationFooterIconsRelatedFunction.png, ({{See Also}, {(RefLink[Graph, paclet:ref/Graph])  ▪  (RefLink[Molecule, paclet:ref/Molecule])}})}})

({{DocumentationFooterIconsRelatedGuide.png, ({{Related Guides}, {▪(RefLinkPlain[Molecular Structure & Computation, paclet:guide/MolecularStructureAndComputation])}})}})