get.mol2formula: get.mol2formula

View source: R/formula.R

get.mol2formulaR Documentation

get.mol2formula

Description

get.mol2formula

Usage

get.mol2formula(molecule, charge = 0)

Arguments

molecule

The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'

charge

Optional. Default 0


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