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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.

journal_name

J Chem Inf Model

journal_title

Journal of chemical information and modeling

authors

Gaillard T,Schwarz BB,Chebaro Y,Stote RH,Dejaegere A

doi

10.1021/ci400233j

subject

Has Abstract

pub_date

2013-09-23 00:00:00

pages

2471-82

issue

9

eissn

1549-9596

issn

1549-960X

journal_volume

53

pub_type

杂志文章

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