NMR VIEW - A COMPUTER-PROGRAM FOR THE VISUALIZATION AND ANALYSIS OF NMR DATA

被引:2705
|
作者
JOHNSON, BA [1 ]
BLEVINS, RA [1 ]
机构
[1] MERCK SHARP & DOHME LTD, RES LABS, DEPT MOLEC SYST, RAHWAY, NJ 07065 USA
关键词
PROTEINS; RESONANCE ASSIGNMENTS; DATA ANALYSIS; SOFTWARE; STRUCTURE DETERMINATION;
D O I
10.1007/BF00404272
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
NMRView is a computer program designed for the visualization and analysis of NMR data. It allows the user to interact with a practically unlimited number of 2D, 3D and 4D NMR data files. Any number of spectral windows can be displayed on the screen in any size and location. Automatic peak picking and facilitated peak analysis features are included to aid in the assignment of complex NMR spectra. NMRView provides structure analysis features and data transfer to and from structure generation programs, allowing for a tight coupling between spectral analysis and structure generation. Visual correlation between structures and spectra can be done with the Molecular Data Viewer, a molecular graphics program with bidirectional communication to NMRView. The user interface can be customized and a command language is provided to allow for the automation of various tasks.
引用
收藏
页码:603 / 614
页数:12
相关论文
共 50 条