Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
WolframChemistry`IsomerGeneration`
GenerateIsomers  |
| | |||||
Details and Options
Examples
(21)
Basic Examples
(1)
Generate the isomers for a saturated hydrocarbon with two oxygen atoms:
In[1]:=
res=
["C8H18O2"]
 | GenerateIsomers |
Out[1]=
Isomers
 | C 8 H 18 O 2 |
|
Create structure diagrams for five random isomers:
In[2]:=
SeedRandom[42];MoleculePlot/@RandomSample[res,5]
Out[2]=
,
,
,
,
If desired, delete the isomers from disk:
In[3]:=
DeleteFile[res]
Options
(20)
 |
|
 |
|
 |
|
 |
|
""