ROCS 3.4.0

Spring 2020

  • 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.