> trying to copy the bond property (IsUp or IsDown) and assign it to the new > bonds (bonds assign tot he dummy atoms). However I figured out that both > functions are returning False values.
As Noel indicated, OBStereoFacade (and related classes) are used to track stereochemistry. The "Up/Down" methods are marked deprecated - if you change the SMILES, the stereochemistry should be correct no matter what, but "up" and "down" are relative terms. -Geoff ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
