Not sure what you mean by 'position', as opposed to 'presence'.
You can indeed get a sub graph matching and then find, for example, the
neighbouring atoms.
Cheers,
Chris
--
Prof. Dr. Christoph Steinbeck
Analytical Chemistry - Cheminformatics and Chemometrics
Institute for Inorganic and Analytical Chemistry
Friedrich-Schiller-University
Lessingstr. 8, D-07743 Jena, Germany
Phone Secretariat: +49-3641-948171
Email: christoph.steinb...@uni-jena.de
http://orcid.org/0000-0001-6966-0814
> Am 30.03.2017 um 13:37 schrieb Nikolas Glaser <glase...@gmail.com>:
>
> Hello guys,
>
> is there a class provided which helps to detect a position of a fragment e.g.
> a ring in a given molecule?
>
> Thanks for your help.
>
> NG
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