User 7c177bab3b
05-09-2011 10:23:06
Hi
The keepLargest action uses total atom count.
Is there a way to keepLargest on heavy atom count e.g. by specifying an evaluator function in the xml?
Thanks
Stephen
User 7c177bab3b
05-09-2011 10:23:06
Hi
The keepLargest action uses total atom count.
Is there a way to keepLargest on heavy atom count e.g. by specifying an evaluator function in the xml?
Thanks
Stephen
ChemAxon e08c317633
05-09-2011 11:13:06
Hi,
There's no way to do that at the moment. We will add an option to remove fragment / keep largest action to consider only heavy atoms.
Zsolt