Protein Structural Statistics with PSS

Abstract : Characterizing the variability within an ensemble of protein structures is a common requirement in structural biology and bioinformatics. With the increasing number of protein structures becoming available, there is a need for new tools capable of automating the structural comparison of large ensemble of structures. We present Protein Structural Statistics (PSS), a command-line program written in Perl for Unix-like environments, dedicated to the calculation of structural statistics for a set of proteins. PSS can perform multiple sequence alignments, structure superpositions, calculate Cartesian and dihedral coordinate statistics, and execute cluster analyses. An HTML report that contains a convenient summary of results with figures, tables, and hyperlinks can also be produced. PSS is a new tool providing an automated way to compare multiple structures. It integrates various types of structural analyses through an user-friendly and flexible interface, facilitating the access to powerful but more specialized programs. PSS is easy to modify and extend and is distributed under a free and open source license. The relevance of PSS is illustrated by examples of application to pertinent biological problems.
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Journal articles
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https://hal-polytechnique.archives-ouvertes.fr/hal-00868690
Contributor : Denis Roura <>
Submitted on : Tuesday, October 1, 2013 - 5:22:31 PM
Last modification on : Friday, June 28, 2019 - 9:38:04 AM

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Thomas Gaillard, Benjamin Schwarz, Yasmine Chebaro, Roland Stote, Annick Dejaegere. Protein Structural Statistics with PSS. Journal of Chemical Information and Modeling, American Chemical Society, 2013, 53 (9), pp.2471-2482. ⟨10.1021/ci400233j⟩. ⟨hal-00868690⟩

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