SCA-2.0

Programe from the paper <2002-sca-A New Approach to Finding Natural Chemical Structure Classes>------JunXu

Usage:

>>> Scaffold cluster/classify (mainly used in comparison compound library)
>>> Run in windows system (cmd insert: scluster xxx.sdf n 3 n 0)
>>> Finally generate 2 csv files(including cluster ID, frequency, scaffold) and a sdf file