parse_smiles: parse_smiles

Description Usage Arguments

View source: R/IO.R

Description

simple smiles parser

Usage

1
parse_smiles(smi, generatecoords = TRUE, kekulise = TRUE)

Arguments

smi

Required. A smiles string

generatecoords

Optional. Default TRUE. Whether to generate coordinates from the smiles

kekulise

Optional. Boolean. Default TRUE


zachcp/depict documentation built on Dec. 30, 2017, 5:38 a.m.