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Protein Structural Statistics with PSS

Thomas Gaillard 1 Benjamin B. L. Schwarz 2 Yasmine Chebaro 2 Roland H. Stote 2 Annick Dejaegere 2 
2 Biocomputing Group
IGBMC - Institut de Génétique et de Biologie Moléculaire et Cellulaire
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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Submitted on : Tuesday, October 1, 2013 - 5:22:31 PM
Last modification on : Wednesday, July 29, 2020 - 4:10:05 PM




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



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