On 19/12/2016 10:42, Jean-Marc Nuzillard wrote: > Thank you all! > > One more point: > > How do I get the bond indexes for which the E/Z configuration has been set? > I seems there are no "magic" properties for bonds and no HasProp() function > for bonds.
Iterate through the bond list and use bond.GetStereo() to find particular values? It returns one of: STEREONONE STEREOANY STEREOZ STEREOE Paul. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
