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IDPConformerGenerator

  • Description

    (Intrinsically Disordered Proteins Conformer Generator) a flexible, modular platform for generating ensembles of disordered protein states that builds conformers by sampling backbone torsion angles of relevant sequence fragments extracted from protein structures in the RCSB Protein Data Bank.

  • Usage

    To list all executables provided by IDPConformerGenerator, run: $ sbgrid-list idpconformergenerator Copy to clipboard

  • Installation

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

  • Primary Citation*

    J. M. C. Teixeira, Z. H. Liu, A. Namini, J. Li, R. M. Vernon, M. Krzeminski, A. A. Shamandy, O. Zhang, M. Haghighatlari, L. Yu, T. Head-Gordon, and J. D. Forman-Kay. 2022. IDPConformerGenerator: A Flexible Software Suite for Sampling the Conformational Space of Disordered Protein States. Journal of Physical Chemistry A. 126(35): 5985-6003.

    Z. H. Liu, J. M. C. Teixeira, O. Zhang, T. E. Tsangaris, J. Li, C. C. Gradinaru, T. Head-Gordon, and J. D. Forman-Kay. 2023. Local Disordered Region Sampling (LDRS) for Ensemble Modeling of Proteins with Experimentally Undetermined or Low Confidence Prediction Segments. bioRxiv : the preprint server for biology.


    • *Full citation information available through

  • Keywords

    NMR

  • Default Versions

    Linux 64:  0.7.25 (1.5 GB)
    OS X INTEL:  0.7.25 (670.7 MB)

  • Other Versions

      Linux 64:

      0.6.15 (636.2 MB)

    • OS X INTEL:

      0.6.15 (631.9 MB)

  • Developers

    João M. C. Teixeira, Zi Hao (Nemo) Liu, Julie D Forman-Kay

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