substr_mask: Extract substructure from a molecule using mask

Description Usage Arguments Value Examples

View source: R/cinf-mol.R

Description

Extracts substructure from a molecule using mask.

Usage

1
substr_mask(mol, mask)

Arguments

mol

molecule

mask

mask defining substructure to be extracted

Value

Substructure

Examples

1
2
3
data("alkans74")
mol <- alkans74.mdb[[2]]
substr_mask(mol, c(1,1,0))

cinf documentation built on May 31, 2017, 2:48 a.m.

Search within the cinf package
Search all R packages, documentation and source code