[OTDev] Classified + Urgent

Rajarshi Guha rajarshi.guha at gmail.com
Sun Jul 11 16:15:11 CEST 2010


On Sun, Jul 11, 2010 at 10:13 AM, Nina Jeliazkova
<jeliazkova.nina at gmail.com> wrote:
> On Sun, Jul 11, 2010 at 5:07 PM, Rajarshi Guha <rajarshi.guha at gmail.com>wrote:
>
>>
>> On Jul 11, 2010, at 9:21 AM, Nina Jeliazkova wrote:

>> Yes, it could be done this way. But I think that image is derived by a
>> Kekulization step - the CDK isn't doing that explicitly
>
>
>
> For the record - CDK DeduceBondTool doesn't succeed t derive the Kekule
> representation  , if called explicitly.

Aah, that would be a bug

-- 
Rajarshi Guha
NIH Chemical Genomics Center



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