Wolfram Function Repository
Instant-use add-on functions for the Wolfram Language
Function Repository Resource:
Get a 3D molecule plot with atoms or bonds colored according to property values
ResourceFunction["MoleculeValuePlot3D"][mol,property] returns a 3D molecule plot highlighted with colors corresponding to property. |
ColorFunction | Automatic | how to determine the coloring of atoms and bonds |
ColorFunctionScaling | True | whether to scale numeric arguments to ColorFunction |
"ExclusionFunction" | (False &) | function to determine which property values to exclude from the resulting plot |
Color each atom according to its partial charge:
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Color atoms according to their hybridization:
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Color bonds according to their bond type:
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The atom and bond properties can be accessed via MoleculeValue and EntityProperties:
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Label atoms by their phase at standard temperature and pressure:
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Disable the plot legends using the PlotLegends option:
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Specify an alternate color function for numeric data:
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Specify an alternate color function for discrete data:
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Pass options directly to the legend:
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When some values are missing, the data is treated as discrete rather than numeric:
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Use MissingQ to exclude missing values:
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Label atoms by their chirality, using the "ExclusionFunction" option to make sure achiral atoms are not labeled:
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