chemterms expression for largest fragment

Hi, I'm wanting to generate a chemical terms column in  a jchem table that contains the heavy atom count of the largest fragment in a molecule, but can't figure out how to do this. Something like this:

max(atomCount(fragments()) - atomCount(fragments(), '1') )

but that doesn't work.

Alternatively I thought of using a structure checker function to  generate the largest fragment and then calculate, something like this

atomCount(fix(' ... ')) - atomCount(fix(' ... '), '1') 

but I can't find a built in structure checker function for this.

Any suggestions?

BTW, as heavy atom count is such a common term it would be useful to have that as a CT function, rather than have to do the maths with atomCount()

Hi, 

Currently we can't do this with Chemical Terms. However, you can easily solve this problem with the API and Marvin Services.

Best regards, 

Daniel