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    TEMPy: a Python library for assessment of 3D electron microscopy density fits

    Farabella, I. and Vasishtan, D. and Joseph, Agnel Praveen and Pandurangan, Arun Prasad and Sahota, Harpal and Topf, Maya (2015) TEMPy: a Python library for assessment of 3D electron microscopy density fits. Journal of Applied Crystallography 48 , pp. 1314-1323. ISSN 0021-8898.

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    Three-dimensional electron microscopy (3D EM) is currently one of the most promising techniques used to study macromolecular assemblies. Rigid and flexible fitting of atomic models into density maps is often essential to gain further insights into the assemblies they represent. Currently, tools that facilitate the assessment of fitted atomic models and maps are needed. TEMPy – Template and EM comparison using Python – is a toolkit designed for this purpose. The library includes a set of methods to assess density fits in intermediate-to-low resolution maps, both globally and locally. It also provides procedures for single fit assessment, ensemble generation of fits, clustering, multiple and consensus scoring, as well as plots and output files for visualisation purposes to help the user in analysing rigid and flexible fits. The modular nature of TEMPy helps the integration of scoring and assessment of fits into large pipelines, making it a tool for both novice and expert structural biologists.


    Item Type: Article
    Keyword(s) / Subject(s): three-dimensional electron microscopy, macromolecular structures, model assessment
    School: Birkbeck Faculties and Schools > Faculty of Science > School of Natural Sciences
    Research Centres and Institutes: Bioinformatics, Bloomsbury Centre for (Closed), Structural Molecular Biology, Institute of (ISMB)
    Depositing User: Maya Topf
    Date Deposited: 28 Jul 2015 09:47
    Last Modified: 02 Aug 2023 17:17


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