Wolfram Function Repository
Instant-use add-on functions for the Wolfram Language
Function Repository Resource:
Visualize a SMILES string together with the molecule it represents
ResourceFunction["SmilesPlot"][smiles] returns an annotated molecule plot labeled by the input SMILES string with corresponding atoms color coded. |
Find the SMILES string for a simple hydrocarbon and visualize it:
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Find the SMILES string for a chemical name and visualize it:
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SmilesPlot will work with "Chemical" entities:
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SmilesPlot will work with Molecule objects:
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Specify a color function for the atoms:
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Some SMILES strings will be canonicalized before plotting:
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