View source: R/golm.inchikey.R
golm.inchikey | R Documentation |
retrieve inchikeys GOLM msp
golm.inchikey( ramclustObj = RC, msp = "R:/RSTOR-PMF/Projects/Broeckling_Corey/GMD_20111121_VAR5_ALK_MSP.txt" )
ramclustObj |
ramclustR object to edit |
convenience function for editing RC object. matches compound name to those in msp file, returns compound (metabolite) inchikey when available.
returns an updated ramclustR object with inchikeys when available.
Corey Broeckling
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