SOLVE and RESOLVE: Automated structure solution, density modification, and model building

Abstract

The software SOLVE and RESOLVE can carry out all the steps in macromolecular structure solution, from scaling and heavy-atom location through phasing, density modification, and model-building in the MAD, SAD, and MIR cases. SOLVE uses scoring scheme to convert the decision-making in macromolecular structure solution to an optimization problem. RESOLVE carries out the identification of NCS, density modification, and automated model-building. The procedure is fully automated and can function at resolutions as low as 3 Å.