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
_____________________________________________________________________________
Ne gardez plus qu'une seule adresse mail ! Copiez vos mails vers Yahoo! Mail
http://mail.yahoo.fr
-------------------------------------------------------------------------
Check out the new SourceForge.net Marketplace.
It's the best place to buy or sell services for
just about anything Open Source.
http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.net/marketplace
_______________________________________________
Cdk-user mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/cdk-user