EON 2.3.2¶
Nov 2019
This version of EON has been built using OEToolkits 2019.Oct. The previous version was built using OEToolkits 2019.Apr.
Minor bug fixes¶
EON now fails if -charges is set to
existing
and :-fixpkadbase or -fixpkaquery istrue
. This avoids the problem withfixpka
incorrectly modifying the molecule but not the charges.