User 2b2c2ee399
03-04-2012 11:08:15
Hi,
I'll like to know if it is possible to compute the number of heavy atom directly from IJC ?
Indeed, so far the only solution that I found is using
evaluate my.sdf -e "atomCount()-atomCount('1')" -o out
but is that possible to create a new chemical term in IJC using this kind of stuff ?
best,