Man pages for harveyl888/chem
Chemistry Routines

atomCountsCount element occurrence
cas_checkCheck cas number is correct
cas_to_smilesreturn smiles string from cas
data_from_pubchemExtact data from PubChem
exactMassCalculate exact mass
formulaSplitSplit chemical formula
getMolecularFormulaReturn a molecular formula
harveyl888/chem documentation built on April 16, 2020, 8:47 p.m.