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Paramagpy

  • Description

    a python module for calculating paramagnetic effects in NMR spectra of proteins. This currently includes fitting of paramagnetic susceptibility tensors to experimental data associated with pseudocontact shifts (PCS) residual dipolar couplings (RDC), paramagnetic relaxation enhancements (PRE) and cross-correlated relaxation (CCR). A GUI allows easy viewing of data and seamless transition between PCS/RDC/PRE/CCR calculations.

  • Usage

    To list all executables provided by Paramagpy, run: $ sbgrid-list paramagpy Copy to clipboard

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install paramagpy Copy to clipboard Available operating systems: Linux 64, OS X INTEL

  • Primary Citation*

    H. W. Orton, T. Huber, and G. Otting. 2020. Paramagpy: software for fitting magnetic susceptibility tensors using paramagnetic effects measured in NMR spectra. Magnetic Resonance. 1: 1-12.


    • *Full citation information available through

  • Keywords

    NMR

  • Default Versions

    Linux 64:  1.2 (446.9 MB)
    OS X INTEL:  1.2 (466.3 MB)

  • Developers

    Henry William Orton, Gottfried Otting

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