Think about cells or stomachs or whatever having a certain pH due to the presence of acids and bases. Your molecule will be protonated according to this pH. On Thu, 1 Nov 2018, 19:52 Leif Peterson <leifepeter...@sbcglobal.net wrote:
> For stripping the counter ion of a salted ligand, I am basically using the > larger smiles string after splitting on "." > > It's my understanding that for counter ions, they're pretty much not > present in an aqueous solution (inside cell). So for example, if sodium > (+1) is the counter ion for a salted ligand, but is not present in aqueous > solution, what happens to the negative charge on the ligand? > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >
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