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IsomerGeneration

Guides

  • Isomer Generation

Tech Notes

  • Getting Started Generating Isomers

Symbols

  • CountIsomers
  • GenerateIsomers
  • Isomers
  • ListIsomers
  • $IsomerOutputDirectory
WolframChemistry`IsomerGeneration`
ListIsomers
​
ListIsomers
[formula]
returns a list of SMILES strings for isomers of the given formula.
​
​
ListIsomers
[formula,
Molecule
]
returns the isomers as
Molecule
objects.
​
Details and Options

Examples  
(2)
In[1]:=
Needs["WolframChemistry`IsomerGeneration`"]
Basic Examples  
(1)

Options  
(1)

SeeAlso
GenerateIsomers
 
▪
CountIsomers
 
▪
Molecule
TechNotes
▪
Getting Started Generating Isomers
RelatedGuides
▪
Isomer Generation
▪
Molecular Structure & Computation
RelatedLinks
▪
Surge: a fast open-source chemical graph generator
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