Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
RobertNachbar`MoleculeComplex`
MoleculeComplex  |
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Details and Options
Examples
(4)
Basic Examples
(2)
Build a molecule complex from a list of a water molecule and an ammonia molecule:
In[1]:=
waterAmmoniaDimer=
Molecule
,MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{3,0,0}]}
 | MoleculeComplex |
water | CHEMICAL |
ammonia | CHEMICAL |
Out[1]=
MoleculeComplex
 |
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Visualize the molecule complex:
In[2]:=
 | MoleculeComplexPlot3D |
Out[2]=
Build a molecule complex from an association of a water molecule and an ammonia molecule:
In[1]:=
waterAmmoniaDimer=
"water"Molecule
,"ammonia"MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{3,0,0}]}
| MoleculeComplex |
water | CHEMICAL |
ammonia | CHEMICAL |
Out[1]=
MoleculeComplex
|
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Visualize the molecule complex:
In[2]:=
| MoleculeComplexPlot3D |
Out[2]=
Scope
(1)
Generalizations & Extensions
(1)
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""