PICTO 5.1.0

New features

  • The inverse checkbox can now be toggled with individual matches, highlighting all atoms that were not a hit on a singular molecule.

  • A new chemistry drop-down menu adds support for reaction automapping of the reactants and products based on Maximum Common Substructure Search.

Major bug fixes

  • PICTO now properly handles reaction changes through the sketcher.

  • An issue where PICTO highlighted bonds that didn’t have matches with the substructure search was fixed.

Minor bug fixes

  • Minor changes were made to the pop-up window for a missing license file.

OEDepict TK 2.5.3

Minor internal improvements have been made.