Generate Publication-Quality Molecular Structure Diagrams

Create a molecule using an IUPAC name:

In[1]:=

m=Molecule["(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol"]

Out[1]=

Molecule

Formula:

C

9

H

12

N

2

O

4

Atoms: 27 Bonds: 27



Use plot themes to control whether hydrogens are shown or how aromatic bonds are depicted:

In[2]:=

TableMoleculePlotm,PlotThemetheme,

options

,{theme,{"AllAtom","HeavyAtom","Aromatic","Monochrome"}}

Out[2]=



AllAtom

,

HeavyAtom

,

Aromatic

,

Monochrome



Use

MoleculePlot3D

to generate interactive plots with plot themes corresponding to common rendering methods:

In[3]:=

TableMoleculePlot3Dm,PlotThemetheme,

options

,{theme,{"SpaceFilling","Wireframe","Tubes","BallAndStick"}}

Out[3]=



SpaceFilling

,

Wireframe

,

Tubes

,

BallAndStick



Highlight an atom or a bond by referring to the atom indices:

In[4]:=

MoleculePlotm,{9,Bond[{2,5}]},PlotLegends

legend



Out[4]=

Highlight all nitrogen atoms in a 3D plot:

In[5]:=

MoleculePlot3D[m,Style["N",Purple]]

Out[5]=

Wolfram Language Example Repository

Generate Publication-Quality Molecular Structure Diagrams

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Generate Publication-Quality Molecular Structure Diagrams

Related Symbols

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