Automating the analysis of backbone resonance assignments.


AutoAssign is an artificial intelligence package for automating the analysis of backbone resonance assignments using triple-resonance NMR spectra of proteins.  Specifically, AutoAssign is a constraint-based expert system implemented in C++, Java2, and Perl programming languages and supported on  SGI-IRIX, Sun-Solaris, MAC-OSX, x86-Linux, and x86_64-Linux architectures. The new AutoAssign distribution automates the assignments of HN, NH, CO, CA, CB, HA, and HB resonances in non-, partially-, and fully-deuterated samples.  The rich graphical user interface (GUI) provides a many sets of tools for dataset conversions, assignment validations, and various graphical displays of assignment results.  AutoAssign is well tested on a large number of independently-collected triple-resonance NMR data sets of proteins ranging in size from ~6 to ~32 kD, including one fully-deuterated protein and and a dataset with reduced-dimensionality experiments.  AutoAssign performs the automated analysis of assignments in only seconds on current RISC and x86 platforms.



NMRbox Version Software Version
3.0.0 2.3.0,


  • Chemical Shift Assignment
  • Automated Chemical Shift Assignment


Automated analysis of protein NMR assignments using methods from artificial intelligence
Zimmerman Diane E, Kulikowski Casimir A, Huang Yuanpeng, Feng Wenqing, Tashiro Mitsuru, Shimotakahara Sakurako, Chien Chen-ya, Powers Robert, Montelione Gaetano T,
Journal of molecular biology. 1997; 269(4): 592--610