Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
RobertNachbar`MoleculeComplex`
MoleculeComplexJoin  |
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Examples
(1)
Basic Examples
(1)
Define the water dimer:
In[1]:=
waterDimer=MoleculeComplex
;
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In[2]:=
 | MoleculeComplexPlot3D |
Out[2]=
Join a list of two water molecules to make a tetramer:
In[3]:=
waterTetramer=MoleculeComplexJoinwaterDimer,MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{6,0,0}]},MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{9,0,0}]}
water | CHEMICAL |
water | CHEMICAL |
Out[3]=
MoleculeComplex
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In[4]:=
| MoleculeComplexPlot3D |
Out[4]=
Join an association of two water molecules to make a tetramer:
In[5]:=
MoleculeComplexJoinwaterDimer,"three"MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{6,0,0}]},"four"MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{9,0,0}]}
water | CHEMICAL |
water | CHEMICAL |
Out[5]=
MoleculeComplex
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In[6]:=
| MoleculeComplexPlot3D |
Out[6]=
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""