research papers
Real-space simulated-annealing refinement is implemented within an interactive molecular graphics package. This accelerates the rate-limiting step of model building and improves the starting point and final quality of subsequent conventional refinement.
Keywords: model building; simulated-annealing; real-space; refinement; electron-density maps; RSRef2000.
research papers
The transition-state complex of this 42 kDa homologue of creatine kinase has been refined at 1.2 Å resolution. It indicates that precise positioning of substrates and restriction of the active-site motion are important components in catalysis.