Hello, Is there any way to assign information about double bond configuration (E or Z) and export the structure (with E/Z information) as a SMILES?
I want to find the most stable E/Z-isomer for given SMILES and I wonder to know how much RDKit can help me. Regards, Rafal ------------------------------------------------------------------------------ Find and fix application performance issues faster with Applications Manager Applications Manager provides deep performance insights into multiple tiers of your business applications. It resolves application problems quickly and reduces your MTTR. Get your free trial! https://ad.doubleclick.net/ddm/clk/302982198;130105516;z _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
