MetaDBparse (version 2.0.0)

build.T3DB: Build T3DB

Description

Parses the T3DB, returns data table with columns compoundname, description, charge, formula and structure (in SMILES)

Usage

build.T3DB(outfolder, testMode = FALSE)

Arguments

outfolder

Which folder to save temp files to?

testMode

run in test mode? Only parses first ten compounds

Value

data table with parsed database

See Also

download.file,unzip getURL str_match fread

Examples

# NOT RUN {
build.T3DB(outfolder=tempdir(), testMode=TRUE)
# }