Sure ! I was only looking for a way of doing the things with bonds that would be similar to the one with the atoms.
All the best, Jean-Marc Le 19/12/2016 à 11:55, Paul Emsley a écrit : > 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 > -- Jean-Marc Nuzillard Institut de Chimie Moléculaire de Reims CNRS UMR 7312 Moulin de la Housse CPCBAI, Bâtiment 18 BP 1039 51687 REIMS Cedex 2 France Tel : 03 26 91 82 10 Fax : 03 26 91 31 66 http://www.univ-reims.fr/ICMR http://www.univ-reims.fr/LSD/ http://www.univ-reims.fr/LSD/JmnSoft/ ------------------------------------------------------------------------------ Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today.http://sdm.link/intel _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
