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nlinls

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  • Yongbo Zhang
    Dear PIPERS, Does anyone have experience about the nlinLS in NMRPipe suite? From nlinLS manual page, the 2D demenstration data is supposed to be in directory
    Message 1 of 3 , Feb 20, 2001
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      Dear PIPERS,

      Does anyone have experience about the nlinLS in NMRPipe suite? From
      nlinLS manual page, the 2D demenstration data is supposed to be in
      directory nlsdemo, but I could not find it even in the lastest
      distribution.

      Any help will be highly appreciated.

      Yongbo
    • Frank Delaglio
      Dear Colleagues, Hope the following is of interest ... Many Cheerful Regards, Big Frank ... Automated Nonlinear Lineshape Fitting for 1D, 2D, 3D and Pseudo-3D
      Message 2 of 3 , Feb 20, 2001
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        Dear Colleagues,

        Hope the following is of interest ...

        Many Cheerful Regards,

        Big Frank

        ---
        Automated Nonlinear Lineshape Fitting for 1D, 2D, 3D and Pseudo-3D Data

        A new script "autoFit.tcl" is now provided with NMRPipe to help automate
        the use of the "nlinLS" spectral fitting program. This autofit script
        estimates all required fitting parameters, and also produces a simulated
        spectrum and residual. The use of this script requires that the latest
        version (retrieved 2/10/2001 or later) of NMRPipe be installed.

        An example for fitting 1D data (in this case, actually a projection
        from a digitized gel image, not NMR data) can be found in the file
        "pub/gel.tar.Z". Note well that work is also in progress to provide
        a better interactive interface for 1D data.
        version of NMRPipe be installed.

        An example of fitting 2D data (in this case, IPAP spectra) can be
        found in the file "pub/ipap.tar.Z"

        An example for automatic fitting of a 2D relaxation series is contained
        in the file "pub/relax.tar.Z"

        The automated script seems to work well in many cases. Note well that
        the success of the analysis depends strongly on the quality of the
        peak table. Be sure to delete noise peaks, insert unresolved peaks,
        and to inspect and edit the CLUSTID values so that overlapping peaks all
        have the same CLUSTID value.
      • ma jin miao
        Dear Frank, My old NMRPipe today tell me NMRDraw Expiration Error,Aborting , when I input NMRDraw in my RedHat Linux 6.2 Workstation. How can I download the
        Message 3 of 3 , Mar 12 2:12 AM
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          Dear Frank,

          My old NMRPipe today tell me "NMRDraw Expiration Error,Aborting", when
          I input "NMRDraw" in my RedHat Linux 6.2 Workstation.

          How can I download the latest version of NMRPipe?

          Ma Jin-Biao
          State Key Lab. of Bio-organic and Natural Products Chemistry
          Shanghai Institute of Organic Chemistry
          Chinese Academy of Sciences
          354 Fenglin Rd., Shanghai 200032
          P.R.China
          E-mail: jbma@...
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