MetaDBparse (version 2.0.0)

build.BMDB: Build BMDB

Description

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

Usage

build.BMDB(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

getURL str_match download.file,unzip pboptions connections xmlValue,xmlEventParse

Examples

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