nCNS: Computational Tools for Macromolecular Neutron Crystallography

Computational Tools for Macromolecular Neutron Crystallography (MNC), a consortium between Los Alamos National Laboratory (LANL) and Lawrence Berkeley National Laboratory (LBL), was created to address the urgent need for new computational tools and methods to deal with the increasing number of neutron macromolecular structures to be determined and their increasing size and complexity. To that end, a patch, designated nCNS, for the existing structure solution program called CNSsolve has been developed which combines, for the first time, global X-ray, neutron and energy refinement with cross-validated maximum likelihood simulated annealing refinement. nCNS can therefore be used in an interoperable way for X-ray, neutron or joint X-ray and neutron analyses.

nCNS website

Science

• Division Capabilities
• Research Highlights & Events
• Avian Influenza Research

Facilities and Programs

• Cloning and Protein Production
• DOE Joint Genome Institute
• Los Alamos Molecular Recognition Alliance
• National Flow Cytometry Resource
• Protein Crystallography Station
• Stable Isotope Resource
• TB Structural Genomics Consortium

Research Tools

• nCNS: Computational Tools for Macromolecular Neutron Crystallography
• SOLVE:Protein Structure Solving Software
• Pathogen Databases