User 7c177bab3b
22-10-2012 11:16:08
Hi
Has there been a change of behaviour of the "neutralize" function in standardize?
In 5.9:
standardize -c "neutralize" -s 'C[N+](C)(C)CC([O-])=O'
C[N+](C)(C)CC(O)=O
Running the equivalent through the API in 5.11 maintains the zwitterionic form.
I guess this is the appropriate behaviour but I couldn't see any documentation on the change.
Thanks
Stephen