Combined automated NOE assignment and structure calculation with CYANA

J Biomol NMR. 2015 Aug;62(4):453-71. doi: 10.1007/s10858-015-9924-9. Epub 2015 Mar 24.

Abstract

The automated assignment of NOESY cross peaks has become a fundamental technique for NMR protein structure analysis. A widely used algorithm for this purpose is implemented in the program CYANA. It has been used for a large number of structure determinations of proteins in solution but was so far not described in full detail. In this paper we present a complete description of the CYANA implementation of automated NOESY assignment, which differs extensively from its predecessor CANDID by the use of a consistent probabilistic treatment, and we discuss its performance in the second round of the critical assessment of structure determination by NMR.

Keywords: Automated assignment; CASD-NMR; CYANA; Distance restraints; NOESY; Structure calculation.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Models, Molecular*
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Protein Conformation*
  • Proteins / chemistry*
  • Software

Substances

  • Proteins