- This version of QUACPAC has been built using OEToolkits 2019.Oct. The previous version was built using OEToolkits 2019.Apr.
- FixpKa now takes a -prefix parameter.
Minor bug fixes¶
- Progress output for Tautomers and pKaTyper has been cleaned up.
- pKaTyper now outputs the input molecule as is if it fails to enumerate charges. Previously it produced a fatal error.
- The -out parameter in FixpKa is now optional.
- FixpKa now sends warning information to a log file.