title: 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.
authors: Laboratoire de Biochimie, UMR 7654 CNRS, Ecole Polytechnique , 91128 Palaiseau Cedex, France.
authors: Thomas
authors: T
authors: Gaillard
authors: Benjamin B L
authors: BB
authors: Schwarz
authors: Yassmine
authors: Y
authors: Chebaro
authors: Roland H
authors: RH
authors: Stote
authors: Annick
authors: A
authors: Dejaegere
mesh_terms: D019295:Computational Biology / Q000379:methods*; D051357:Cyclin-Dependent Kinase 2 / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D018160:Receptors, Cytoplasmic and Nuclear / Q000737:chemistry / Q000378:metabolism; D012984:Software
chemical_list: D011506:Proteins; D018160:Receptors, Cytoplasmic and Nuclear; D051357:Cyclin-Dependent Kinase 2