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RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX
MIT License
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MFAssignR: add more parameters to MFAssignCHO function #590

Closed KristinaGomoryova closed 1 month ago

KristinaGomoryova commented 1 month ago

It would be useful to provide also option to set other parameters, as minimum oxygen number (min_O), O/C, DBE-O, H/C limits, adducts and others