function to get murcko framework in jcf

Hi, I checked cartridge jcf package there is not a function for getting murcko framework for a given molecule. Is it possible to add this function to jcf?

Thanks

Dong

Hi Dong,

I've found some similarily named Chemical Terms functions:

http://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html#structuralframeworks_functions

Please, check them to see if they're doing what you need. If so, you can try and use the functions with the jc_evaluate_x operator (or jcf.evaluate_x functions).

Peter

yes, it does what i want, what is the syntax of evalue_x look at the function spec of jcf package i have no way to tell, help please, i have mol table with smiles, and put cart index on smiles col.

tahnks

Dong

The jcf.evaluate_x functions accept the same arguments as the jc_evaluate operator (this latter is documented here: http://www.chemaxon.com/jchem/doc/dev/cartridge/cartapi.html#jc_evaluate_x ).

select jcf.evaluate_x(smiles_column, 'chemTerms:bmf()') from moltable

Peter

Hi Peter,

Cool it works great, i am using this in my procedure/triggers, so that once the new mol is added its murcko field is populated ... way to go

Dong