Description Usage Arguments Value Examples
Parses the RMDB, returns data table with columns compoundname, description, charge, formula and structure (in SMILES)
1 | build.RMDB(outfolder, testMode = FALSE)
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outfolder |
Which folder to save temp files to? |
testMode |
run in test mode? Only parses first ten compounds |
Message that RMDB is deprecated
1 | ## Not run: build.RMDB(outfolder=tempdir(), testMode=TRUE)
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