substr_mask {conmolfields}R Documentation

Extract substructure from a molecule using mask

Description

Extracts substructure from a molecule using mask.

Usage

substr_mask(mol, mask)

Arguments

mol

molecule

mask

mask defining substructure to be extracted

Value

Substructure

Examples

data("alkans74")
mol <- alkans74.mdb[[2]]
substr_mask(mol, c(1,1,0))

[Package conmolfields version 0.0-19 Index]