Hello everybody,
I have a list of molecular fragments generated with BRICS and saved in PDB
format. When I read them back with Chem.MolFromPDBlock() RDKiT is unable to
recognize the dummy atom * and throws a warning (and no molecule is returned).
Is it possible add custom atoms to the PDB Parser? Or is there another
workaround?
Thanks in advance,
Gabriele
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
