Fig. 1.

IMProv, a workflow for integrative structural modeling in the Mass Spec Studio. A graphical user interface enables the configuration of integrative modeling routines based on IMP (26). IMProv works in concert with MS data analysis apps in the Studio to receive XL and HX datasets that are properly configured for use within IMP, with an option for footprinting data as well. These datasets are combined with structures from the Protein DataBank (PDB), available cryo-EM density maps (EMD), and sequence information as needed. A deployment bundle including IMP and its dependencies is exported, which can be executed on a high-performance computing cluster for integrative modeling of the protein system.