Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
WolframChemistry`ChemistryFunctions`
EmbeddedMoleculeQ  |
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Details and Options
Examples
(2)
Basic Examples
(2)
Most molecules from the Wolfram Knowledgebase have 3D coordinates:
In[1]:=
 | EmbeddedMoleculeQ |
water | CHEMICAL |
Out[1]=
True
A molecule created from a string will not be automatically embedded:
In[2]:=
| EmbeddedMoleculeQ |
Out[2]=
False
A molecule that was imported from a file may contain 3D coordinates:
In[1]:=
Import["ExampleData/caffeine.xyz"]
Out[1]=
Molecule
 |  |
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In[2]:=
| EmbeddedMoleculeQ |
Out[2]=
True
Other files contain 2D instead of 3D coordinates:
In[3]:=
mol=Import["ExampleData/fluoxetine.mol"]
Out[3]=
Molecule
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In[4]:=
| EmbeddedMoleculeQ |
Out[4]=
False
In[5]:=
| EmbeddedMoleculeQ |
Out[5]=
True
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""