OpenStructure: an integrated software framework for computational structural biology. (1st May 2013)

• Record Type: Journal Article
• Authors: Biasini, M.; Schmidt, T.; Bienert, S.; Mariani, V.; Studer, G.; Haas, J.; Johner, N.; Schenk, A. D.; Philippsen, A.; Schwede, T.
• Is Part Of: Acta crystallographica. Volume 69:Part 5(2013:May)
• Page Start: 701
• Page End: 709
• Publication Date: 2013-05-01
• Subjects: Biomolecules -- Structure -- Periodicals; Physical biochemistry -- Periodicals; X-ray crystallography -- Periodicals; Crystallography -- Periodicals; 572
• DOI: 10.1107/S0907444913007051
• Languages: English
• ISSNs: 0907-4449

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>Research projects in structural biology increasingly rely on combinations of heterogeneous sources of information, <italic>e.g.</italic> evolutionary information from multiple sequence alignments, experimental evidence in the form of density maps and proximity constraints from proteomics experiments. The <italic>OpenStructure</italic> software framework, which allows the seamless integration of information of different origin, has previously been introduced. The software consists of C++ libraries which are fully accessible from the Python programming language. Additionally, the framework provides a sophisticated graphics module that interactively displays molecular structures and density maps in three dimensions. In this work, the latest developments in the <italic>OpenStructure</italic> framework are outlined. The extensive capabilities of the framework will be illustrated using short code examples that show how information from molecular‐structure coordinates can be combined with sequence data and/or density maps. The framework has been released under the LGPL version 3 license and is available for download from http://www.openstructure.org.</p> </abstract>