PS. Speaking of the documentation, I looked for molecule's weight/mass under properties of rdkit.Chem.rdchem.Mol. After I didn't find anything I googled for "rdkit molecule weight", the top hit I get is rdkit.Chem.rdMolDescriptors, hence _CalcMolWt().
Module rdkit.Chem.Descriptors is the 2nd hit, I suppose I should've looked there as well... -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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