Hi, I am using RDKit to basically identify the oxygenated groups in complex biomass. The ether, ester, ketone, and aldehyde getfrag commands are amazing. I am wondering if it is possible to identify the different types of alcohols in a molecule ie, primary, secondary, and finally tertiary. For example in sucrose, there are 8 alcohols, 5 secondary and 3 primary, is it possible to have RDKit identify that for me? if you would like to see any code feel free to email me at davidson.be...@gmail.com Any help would be greatly appreciated. -Ben
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
