MetaDBparse (version 2.0.0)

smiles.to.iatom: Get iatom containers from SMILES

Description

FUNCTION_DESCRIPTION

Usage

# S3 method for to.iatom
smiles(smiles, silent = TRUE, cl = 0)

Arguments

smiles

character vector of smiles

silent

suppress warnings?, Default: TRUE

cl

parallel::makeCluster object for multithreading, Default: 0

Value

iatom containers for use in rcdk package

See Also

jcall

Examples

# NOT RUN {
 smiles.to.iatom(c('OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O'))
# }