MetaDBparse (version 2.0.0)

build.PAMDB: Build PAMDB

Description

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

Usage

build.PAMDB(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 as.data.table read_xlsx getURL str_match

Examples

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