Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
RobertNachbar`MoleculeComplex`
MoleculeComplexToMolecule  |
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Details and Options
Examples
(4)
Basic Examples
(1)
Define a molecule complex with three molecules:
In[1]:=
trimer=MoleculeComplex
;
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In[2]:=
 | MoleculeComplexPlot3D |
Out[2]=
Combine the molecules of the molecule complex into a single molecule:
In[3]:=
mol=
[trimer]
 | MoleculeComplexToMolecule |
Out[3]=
Molecule
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Count the number of connected molecule components:
In[4]:=
ConnectedMoleculeComponents[mol]//Length
Out[4]=
3
Visualize the molecule:
In[5]:=
MoleculePlot3D[mol]
Out[5]=
Scope
(1)
Options
(2)
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""