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View recap.py
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,
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