jcsearch non-overlapping substructures

User dd11f4d86b

19-07-2005 16:56:44

Hello,





I would like to search a database and count the number of non-overlapping substructure hits with jcsearch. Currently I can only return overlapping hits, for example:





$ jcsearch -q "[C&X4]-[C&X4]-[C&X4]" -t:c --allHits "CCCC"


2





I would like to count non-overlaping hits - for the example above there would be a count of 1. Is there a way to do this with jcsearch? Thanks!!!





Peter

ChemAxon 9c0afc9aaf

21-07-2005 08:29:08

Hi,





Sorry for answering a bit late.





Currently there is no option to find non-overlapping hits in the target.





I think we will implement this in the future.


I will discuss it with my colleagues and let you know in a few days when this feature is expected to be available.





Best regards,





Szilard