You can find more documentation on that class here:
http://cdk.github.io/cdk/1.5/docs/api/index.html
On 5 January 2017 at 14:57, Nikolas Glaser <[email protected]> wrote:
> Ah great, that was what i hoped to find.
> Thanks a lot for the fast answer!
> Niko
>
> John Mayfield <[email protected]> schrieb am Do., 5. Jan. 2017
> um 15:52 Uhr:
>
>> Niko,
>>
>> I do not need a complete code, just some information what i can use for
>> it. I want to try it by myself to learn more about cdk.
>>
>>
>> It's a one liner... so I'm just going to give the answer:
>>
>> int count = Pattern.findSubstructure(frag).matchAll(mol).countUnique();
>>
>>
>> John
>>
>> On 5 January 2017 at 14:42, Nikolas Glaser <[email protected]> wrote:
>>
>> Hello everyone,
>> is there a possibility to count a fragment (e.g. created witch
>> murcko-fragmenter) in the molecule?
>> E.g. i have a 6-Ring and want to know how often he is present in the
>> fragmented molecule.
>>
>> If there is no tool, maybe someone can give me a hint how to implement it
>> by myself? I am very new to CDK so i do not have a lot of experience.
>> I do not need a complete code, just some information what i can use for
>> it. I want to try it by myself to learn more about cdk.
>>
>> Thanks a lot!
>>
>> Niko
>>
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