Extract molecule scaffolds¶
A program that removes all atoms that are not ring atoms nor atoms in linkers between rings. By default double bonded atoms exo to a ring are included as ring atoms. This can be changed by using the flag -exo.
prompt> extractscaffold.py dbase.oeb.gz prompt> extractscaffold.py -exo false -i dbase.oeb.gz -o output.oeb.gz