CAT 0.8.9

• Added the option to perform ligand geometry optimizations at arbitrary levels of theory.

CAT 0.8.8

• Fixed a bug where ligands weren't properly rotated when using optional.ligand.optimize = False.
• Added tests for CAT.utils.SetAttr.

CAT 0.8.7

• Replaced print() calls with logger.warning() in all dye-related functions.
• Added a recipe for calculating the synthetic accessibility score (SAS) as adapted from MolGAN.

CAT 0.8.6

• Bumped the version to 0.8.5.
• Added documentation for the new Nano-CAT multi_ligand_job() recipe (nlesc-nano/nano-CAT#48).

CAT 0.8.4.1

• Turned the dye functionality into a recipe in CAT.recipes.