ReliaSolve is working with the Dave and Jane Richardson laboratory as part of a supplemental NIH award to upgrade their MolProbity system. MolProbity’s protein model validation has a huge user base consisting of most of the structural biologists worldwide, is a part of most model-building and refinement software systems, and is central to model validation at the world-wide Protein Data Bank.

The goal of this supplement is to rework the core software tools that perform and support model validation, to make them more unified, robust, maintainable, and extensible. It will rewrite and modernize the central all-atom contact code (Reduce in C++, Probe in C, and support utilities); integrate it with the Python-wrapped C++ interfaces of the Computational Crystallography Toolbox; and investigate versions of cloud hosting that could improve scalability, access, and robustness for the MolProbity web service.