substruct: Extract substructure from a molecule

Description Usage Arguments Value Examples

View source: R/cinf-mol.R

Description

Extracts substructure from a molecule.

Usage

1
substruct(mol, oldnum)

Arguments

mol

molecule

oldnum

list of the atoms defining the substructure to be extracted

Value

Substructure

Examples

1
2
3
data("alkans74")
mol <- alkans74.mdb[[2]]
substruct(mol, c(1,2))

cinf documentation built on May 2, 2019, 5 p.m.

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