Hi Ansgar,
It is possible to specify the tautomer parameter file that is used, but in
order for me to explain how, I need to know how you are currently using the
code to enumerate tautomers (i.e. which function you are calling).
As for the format: it's tab-delimited and the first entry is the nam
Dear all
For the standardizer module (Chem.MolStandardize), what is the best way to
change some of the tautomerizer rules?
There is a data file in share/RDKit/Data/Molstandardize/tautomerTransforms.in
which I assume to define the default.
// NameSMARTS Bonds Charges
1,3 (thio)keto/e
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