Description:Crystallography and NMR system - structure calculation software with special paramagnetic restraints
Abstract:Crystallography & NMR System (CNS) is the result of an international collaborative effort among several research groups. The program has been designed to provide a flexible multi-level hierachical approach for the most commonly used algorithms in macromolecular structure determination. Highlights include heavy atom searching, experimental phasing (including MAD and MIR), density modification, crystallographic refinement with maximum likelihood targets, and NMR structure calculation using NOEs, J-coupling, chemical shift, and dipolar coupling data. <BR/>This version includes the para-magnetic restraint toolkit developed by the CIRMMP group in Florence.