2023-03-22 QC Fitting notes

Weekly update

@Pavan Behara

• Slides: https://docs.google.com/presentation/d/17G2oH5HZb6k6oJRXdg5qrlXLTSavZA_NajQuQjITb3o/edit?usp=sharing

  • Update on weird torsions in exotic sulfonamides

  • preliminary results on iterative fitting

  • benchmarks of larger fits (potential 2.1.0)