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Re: [Cdk-user] Wrong Number of rings in adamantane
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From: Egon W. <ego...@gm...> - 2008-01-15 05:29:02
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Hi Aziz, On Jan 14, 2008 7:48 PM, aziz yasri <yaz...@ya...> wrote: > 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. I really count only three rings: http://en.wikipedia.org/wiki/Adamantane I think of a ring, as something you can break into a chain... if I carefully break three bonds, I get a system without rings... Egon -- ---- http://chem-bla-ics.blogspot.com/ |