MetaDBparse (version 2.0.0)

build.MCDB: Build MCDB

Description

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

Usage

build.MCDB(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 readHTMLTable,xmlValue,xmlEventParse rbindlist pboptions connections str_match

Examples

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