You need to provide a more specific query. *CCCC is very generic and hits
everything in the molecule except the sulfur and the imidazole. I am not
sure about 17 hits but I can count at least 15. This is the default
behaviour in every toolkit, by the way.
You should try the SMARTS tester from Daylight to visualise your
substructure matches
http://www.daylight.com/daycgi_tutorials/depictmatch.cgi
Adrian
On Tue, Dec 1, 2009 at 11:39, Evgueni Kolossov <ekolos...@gmail.com> wrote:
> >I will repeat myself: please provide a specific match that you
> >consider to be wrong.
> I can investigate if it make sense
>
>
> >Comments like this do not improve my motivation to continue to be helpful.
> I am sorry - I have no intention to offend you. I just cannot understand
> the purpose of this function with current limitations
>
> Regards,
> Evgueni
>
> 2009/12/1 Greg Landrum <greg.land...@gmail.com>
>
>> On Tue, Dec 1, 2009 at 12:31 PM, Evgueni Kolossov <ekolos...@gmail.com>
>> wrote:
>>
>> > I can investigate but even without this cyclic/non-cyclic problem there
>> > cannot be 17 matches! Especially with uniquify set to true.
>>
>> I will repeat myself: please provide a specific match that you
>> consider to be wrong.
>>
>> > So, this function is actually useless.
>>
>> Comments like this do not improve my motivation to continue to be helpful.
>>
>> -greg
>>
>
>
>
>
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