Hey Greg, I hope you had a good meeting.
I was wondering whether it is possible to set the location of depicted wedge/hashes in a MOL file output. Right now, it seems that I can call WedgeHashBonds and that tells me where the wedge or hashes are via GetBondDir() (although I am still a bit confused as to which direction they are supposed to be). And I can set the BondDir fine... However, when I subsequently write out a MOL file it seems that any changes to the location of the BondDirs are just ignored. This is not a biggie for me, but it would be nice to be able to always set the same bond as the stereobond in a set of amino acids, as this makes it obvious which are D- versus L-. Regards, Noel ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
