golm.inchikey: retrieve inchikeys GOLM msp

Description Usage Arguments Details Value Author(s)

View source: R/golm.inchikey.R

Description

retrieve inchikeys GOLM msp

Usage

1
2
3
4
golm.inchikey(
  ramclustObj = RC,
  msp = "R:/RSTOR-PMF/Projects/Broeckling_Corey/GMD_20111121_VAR5_ALK_MSP.txt"
)

Arguments

ramclustObj

ramclustR object to edit

Details

convenience function for editing RC object. matches compound name to those in msp file, returns compound (metabolite) inchikey when available.

Value

returns an updated ramclustR object with inchikeys when available.

Author(s)

Corey Broeckling


cbroeckl/csu.pmf.tools documentation built on Dec. 31, 2021, 9:54 a.m.