Hello,

I've got some wrong results concerning the number of rings resulting from 
GenerateFragments class.
In adamantane, there are 4 rings (6-member ring). The getRingFragments return 
only 3.

Can someone explain this behavior ?

gf = GenerateFragments();
 gf.generateRingFragments(mol)
 ListRingSets = gf.getRingFragments()

Thanks,

Aziz
 



      
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