Hi, I am wondering whether you can use RDKit for the estimation of protonation states of chemical compounds, too. And if yes, how can you do that, and what do you think how reliable it is? Or is there a way to implement this?
kind regards Sören ------------------------------------------------------------------------------ Xperia(TM) PLAY It's a major breakthrough. An authentic gaming smartphone on the nation's most reliable network. And it wants your games. http://p.sf.net/sfu/verizon-sfdev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
