Description
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.
Principal Members of the Collaborative CNS effort:
- Dr. Axel Brunger, HHMI and Yale University
- Dr. Paul Adams, HHMI and Yale University
- Dr. Marius Clore, National Institutes of Health
- Dr. Piet Gros, Utrecht University
- Dr. Michael Nilges, EMBL Heidelberg
- Dr. Randy Read, Cambridge University
Acknowledgement of funding:
- Howard Hughes Medical Institute. Period: 1987-.
Funding for Dr. Brunger's laboratory.
- National Science Foundation. Grant No. BIR-9021975 Period: 1991-1997.
Title: X-ray Crystallography Program System.
- National Science Foundation. Grant No. BIR-9514819 Period: 1996-1999.
Title: Development of X-PLOR, A System for X-ray Crystallography and NMR.
- National Institutes of Health, Program Project GM-39546-07. Period: 1992-1997.
Title: Free-energy calculations for drug design of the HIV protease and the HIV
reverse transcriptase.
- National Institutes of Health, Program Project GM-54160. Period: 1994-1999.
Title: Structural Motifs in Membrane Proteins.
- National Science Foundation. Grant No. ASC-93-18159. Period: 1993-1999.
Title: Computational Challenges for Structure Determination and Sampling.
- Argonne National Laboratory/Department of Energy. Period: 1998.
Title: Automated Protein Crystallography.
- Mathematical Sciences Program Postdoctoral Fellowship (University of California
at Berkeley/National Science Foundation). Period: 1996-1997.
Title: The Development and Testing of NMR Structure Assessment Techniques.