get.mcs: get.mcs

View source: R/smsd.R

get.mcsR Documentation

get.mcs

Description

get.mcs

Usage

get.mcs(mol1, mol2, as.molecule = TRUE)

Arguments

mol1

Required. First molecule to compare. Should be a 'jobjRef' representing an 'IAtomContainer'

mol2

Required. Second molecule to compare. Should be a 'jobjRef' representing an 'IAtomContainer'

as.molecule

Optional. Default TRUE.


rcdk documentation built on Sept. 26, 2022, 5:09 p.m.