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.
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()