Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
RobertNachbar`MoleculeComplex`
MoleculeComplexDelete  |
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Details and Options
Examples
(1)
Basic Examples
(1)
Build a trimer of water, ammonia, and methane:
In[1]:=
trimer=
Molecule
,MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{3,0,0}]},MoleculeModifyMolecule
,{"TransformAtomCoordinates",TranslationTransform[{6,0,0}]}
 | MoleculeComplex |
water | CHEMICAL |
ammonia | CHEMICAL |
methane | CHEMICAL |
Out[1]=
MoleculeComplex
 |
|
In[2]:=
 | MoleculeComplexPlot3D |
Out[2]=
Delete the molecule with the key 2:
In[3]:=
dimer=
[trimer,2]
| MoleculeComplexDelete |
Out[3]=
MoleculeComplex
|
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In[4]:=
| MoleculeComplexPlot3D |
Out[4]=
In[5]:=
| MoleculeComplexDelete |
Out[5]=
MoleculeComplex
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In[6]:=
| MoleculeComplexPlot3D |
Out[6]=
Delete the molecules with the keys 1 and 3 from the trimer:
In[7]:=
| MoleculeComplexDelete |
Out[7]=
MoleculeComplex
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In[8]:=
| MoleculeComplexPlot3D |
Out[8]=
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""