Interactive and semi-automatic NMR spectra analysis
KUJIRA is a program for the analysis of NMR spectra, consisting of integrated and networked modules working with a variety of graphical interfaces for systematic and interactive analysis of NMR data by manual or automated assignments of main-chain and side-chain signals. NMRView is required by KUJIRA for displaying contour plots and controlling spectrum windows. A module used for assessments of calculated structures, including the functions for secondary structure detection, accessible surface area analysis, Ramachandran and χ1/χ2 analysis, allows user to recognize the problematic region of the structures readily. Another module in KUJIRA linked with outputs of NOE assignments by CYANA calculations seamlessly controls chemical shift table, spectrum windows and NOE assignment table as users to find artifact or noise peaks among NOE peak table as well as miss-assignments in the chemical shift table easily. These functions allow users not only to achieve high completeness and accuracy of chemical shift table but also to enormously save time for the structure refinement works.
Please contact Dr. Naohiro Kobayashi at Osaka University.
- Kobayashi, N., Iwahara, J., Koshiba, S., Tomizawa, T., Tochio, N., Güntert, P., Kigawa, T. & Yokoyama, S. KUJIRA, a package of integrated modules for systematic and interactive analysis of NMR data directed to high-throughput NMR structure studies. J. Biomol. NMR 39, 31–52 (2007)
- Reports or publications of results obtained with KUJIRA should cite this paper.