April 7, 2026, 3:54 p.m.

MoKa 5.1 released

What's new in MoKa 5.1

New features and enhancements

The database of experimental pKa data has been improved, about a thousand of new pKa added, coming from literature and internally measured, some conflicting ones removed, and models have been consequently recomputed.
A new New session... menu item and toolbar button make it easier to start a fresh session.
The Search dialog now automatically refreshes its results whenever structures are added or modified, for example after importing a file or generating tautomers, so search results are always up to date.
Progress indicators are now shown during longer operations such as file import and property calculations, so it is easier to track how much work remains.
The selection of experimental reference data has been improved: available options are now clearly distinguished and the associated molecule counts are displayed correctly.

Bug fixes

Fixed a crash when importing a SMILES file containing invalid entries.
Fixed an issue where certain MOL2 files were silently skipped during import with no molecules loaded and no error shown.
Fixed an incorrect charge separation displayed on tetrazole-containing structures loaded from SDF files.
Fixed the Filename + Ordinal auto-naming policy: names now start from 1 and no longer include the file extension.
Fixed the species abundance plot being blank for molecules with no ionizable atoms. The plot now correctly shows 100% abundance across all pH values for such molecules.
Fixed a display inconsistency with pinned structures when switching between light and dark themes.
Fixed a session-saving issue where choosing to overwrite an existing session file did not always replace it correctly.
Fixed a hang in Kibitzer that occurred after completing a computation on a large set of compounds.

More info about MoKa on the product page.