kzfm

import openbabel
# Copyright 2009 TJ O'Donnell
class recap:
  # RECAP-Retrosynthetic Combinatorial Analysis Procedure
  # J. Chem. Inf. Comput. Sci. 1998, 38, 511-522
  def __init__(self, mol, minsize=5):
    self.mol = mol;
    # minimum allowed size (atom count) of fragment
    self.minsize = minsize;
    # bonded atom pairs populated by the apply method,