Description Usage Arguments Value Examples
Extracts substructure from a molecule.
1 | substruct(mol, oldnum)
|
mol |
molecule |
oldnum |
list of the atoms defining the substructure to be extracted |
Substructure
1 2 3 | data("alkans74")
mol <- alkans74.mdb[[2]]
substruct(mol, c(1,2))
|
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