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girke-lab / ChemmineOB

OpenBabel wrapper package for R
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Avoid formatting output #12

Closed sneumann closed 1 year ago

sneumann commented 7 years ago

Hi, convertFormat("SMI","inchikey","CC(=O)OC1=CC=CC=C1C(=O)O") will give me "BSYNRYMUTXBXSQ-UHFFFAOYSA-N\n", so when using the result I'll have to strip off the \n. Formatting should be handled by the user of the result. Yours, Steffen

sneumann commented 7 years ago

sub("\n","", convertFormat(...)) is your friend :-)