MetaDBparse (version 2.0.0)

build.STOFF: Build STOFF db

Description

Parses the STOFF db, returns data table with columns compoundname, description, charge, formula and structure (in SMILES)

Usage

build.STOFF(outfolder)

Arguments

outfolder

Which folder to save temp files to?

Value

data table with parsed database

See Also

download.file,unzip as.data.table read_excel

Examples

# NOT RUN {
build.STOFF(outfolder=tempdir())
# }