- This version of ROCS has been built using OEToolkits 2020.0.
Major bug fixes¶
- Shape queries with the file extension SQ no longer give incorrect shape Tanimoto scores.
Minor bug fixes¶
- ScaledColor and ComboScore are no longer available as options for the -rankby parameter. Accordingly, those quantities are also no longer reported in the output results files. Users are encouraged to use ColorTanimoto and TanimotoCombo instead.
- Images in the RocsReport documentation have been updated.