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ChemistryFunctions

Guides

  • Wolfram Chemistry Functions

Symbols

  • AtomSelector3D
  • AtomSelector
  • BohrModelPlot
  • ChemicalFormulaQ
  • ChemicalReactionQ
  • ConstitutionalIsomersQ
  • DiastereomersQ
  • EmbeddedMoleculeQ
  • EmpiricalFormula
  • EmptyMoleculeQ
  • EnantiomersQ
  • EpimersQ
  • FormatMoleculesAsGraphics
  • HydrocarbonQ
  • ImportComputationalChemistryData
  • IonCounts
  • MoleculeDelete
  • MoleculeGridPlot3D
  • MoleculeGridPlot
  • MoleculeJoin
  • MoleculeManipulate3D
  • MoleculeManipulate
  • MoleculeMirrorPlot3D
  • MoleculePatternQ
  • MoleculePlotOptions
  • MoleculeScaffold
  • MoleculeSubstructureMatches
  • PatternReactionQ
  • PeriodicTablePlot
  • RandomMolecule
  • RingMoleculeQ
  • RingPattern
  • SmilesPlot
  • StereoisomersQ
WolframChemistry`ChemistryFunctions`
AtomSelector
​
AtomSelector
[mol,
Dynamic
[x]]
returns a dynamic visualization of
mol
that allows selecting a group of atoms whose indices are stored in the variable
x
.
​
Details and Options

Examples  
(4)
Basic Examples  
(3)
An atom selector bound to a variable
In[1]:=
Column
AtomSelector
[Molecule["caffeine"],Dynamic[x]],Dynamic[x]
Out[1]=
​
An atom selector:
In[1]:=
AtomSelector
[Molecule["OCN1C(=O)CN(C1=O)/N=C/c1ccc(o1)N(=O)=O"]]
Out[1]=
​
An atom selector with graphics options specified:
In[1]:=
AtomSelector
[Molecule["CC(=O)Nc1cc(O)ccc1O"],IncludeHydrogensTrue,BackgroundLightBlue]
Out[1]=
Interactive Examples  
(1)

SeeAlso
AtomSelector3D
 
▪
Molecule
 
▪
MoleculePlot
RelatedGuides
▪
Wolfram Chemistry Functions
""

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