build.SMPDB: Build SMPDB

In MetaDBparse: Annotate Mass over Charge Values with Databases and Formula Prediction

Description

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

Usage

build.SMPDB(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 pbapply fread,rbindlist

Examples

## Not run: build.SMPDB(outfolder=tempdir(), testMode=TRUE)

MetaDBparse documentation built on May 3, 2021, 5:09 p.m.