Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
RobertNachbar`MoleculeComplex`
MakeMolecule3D  |
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Details and Options
Examples
(1)
Basic Examples
(1)
In[1]:=
mol=Molecule["CC(=O)N"]
Out[1]=
Molecule
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Check it for three-dimensional coordinates:
In[2]:=
FilterRules[Options[mol],AtomCoordinates]
Out[2]=
{}
Generate three-dimensional coordinates:
In[3]:=
mol3D=
[mol]
 | MakeMolecule3D |
Out[3]=
Molecule
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Check it for three-dimensional coordinates:
In[4]:=
FilterRules[Options[mol3D],AtomCoordinates]
Out[4]=
AtomCoordinatesQuantityArray
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""