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NMR wisdom:NMR Software

NMR Software
  • LinuxNMR
    Programs are listed sequentially, according to the normal order of use in a typical NMR structure determination project. Rather than providing detailed tutorials on the use of the various programs, a few comments on the general use of each program are provided, as well as the literature citations and links to the original documentation.

    Auto-assignment programs
  • AutoAssign
    AutoAssign is a constraint-based expert system for automating the analysis of backbone resonance assignments using NMR spectra of small proteins. Zimmerman, D.E., Kulikowski, C.A., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C., Powers, R., Montelione, G.T., J. Mol. Biol. 269, 592-610 (1997).

    Data processing
  • AutoProc
    AutoProc is a suite of programs for the automatic generation of scripts for multidimensional protein NMR data processing and format conversion. The programs are written in Perl and make use of ASCII tables that the user can modify. In the current implementation, NMRPipe (Delaglio, et al. J. Biomol. NMR, 1995, 277-293) are automatically generated based on Pulse Sequence-dependent and Spectrometer-dependent information found in the tables. A Varian to NMRPipe conversion script generator (with automatic referencing) is also part of the AutoProc package. M. Bayro, D. Monleon, M.C. Baran, G. Sahota, R. Paranji, H.N.B. Moseley, J.M. Aramini, G.V.T. Swapna, G.T. Montelione, "Simple and Rapid Processing of Multidimensional NMR Spectra Using AutoProc and NMRPipe Software", (in preparation).
    NMR processing, manipulation and viewing software written by Wayne Boucher.
  • procTool: nmrPipe interface tool
    ProcTool is an nmrPipe interface tool, designed for easy spectral processing of NMR data. Using predefined and logically ordered fields, parameters can be entered, modified and nmrPipe conversion and processing scripts can be generated and executed. Settings, processing scripts, and a history are stored in a single file, ready for easy reproduction at any stage.

    Spectra display and analysis
    ANSIG version 3.3
    Assignment of NMR Spectra by Interactive Graphics.
    A program written in Fortran 77 for Silicon Graphics machines. Copyright 1996 Per Kraulis

    NMR data management
  • nmrManage: project management tool
    The nmrManage program is designed to group sets of related procTool files and sample files in one place in so-called projects, without actually moving or copying data. Thus, it is an indirection mechanism (pointer mechamism). Using nmrManage, one can quickly view, modify, or list the different experiments or samples.

Created by ale51, 01-25-2005 at 04:39 AM
Last edited by ale51, 08-21-2010 at 06:59 AM
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