Extract rings¶
A program that removes all non-ring atoms from the input molecules. By
default double bonded atoms exo to a ring are included as ring
atoms. This can be changed by using the flag -exo. The program
will output the molecules to stdout as SMILES if no output file is
set. The molecule name will be appended with “_rings”.
Example¶
prompt> ringsubset.py dbase.oeb.gz
prompt> ringsubset.py -exo false -i dbase.oeb.gz -o output.oeb.gz