How to retrieve molecules of a specific dissimilarity range?

Hi,


I wonder if there is a possibility to retrieve compounds from one compr-run


which are e.g tanimoto between 0,3 and 0,8?





can I specify a flag (comparable to the threashold flag "-t <float>" ) which defines a range of dissimilarity?





Cheers,


Markus

Hi Markus,





I am not aware of such an option, but Miklós will return soon and he may be able to suggest some combination of options.





Regards,


Szabolcs

I'm afraid that's not possible in a direct manner. For such advanced options you need to use the API and develop your own application.





MIklos