build.PAMDB: Build PAMDB

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

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)

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