Acta Crystallographica Section D

Biological Crystallography

Volume 69, Part 5 (May 2013)

integrative structural biology

Acta Cryst. (2013). D69, 701-709    [ doi:10.1107/S0907444913007051 ]

OpenStructure: an integrated software framework for computational structural biology

M. Biasini, T. Schmidt, S. Bienert, V. Mariani, G. Studer, J. Haas, N. Johner, A. D. Schenk, A. Philippsen and T. Schwede

Abstract: Research projects in structural biology increasingly rely on combinations of heterogeneous sources of information, e.g. evolutionary information from multiple sequence alignments, experimental evidence in the form of density maps and proximity constraints from proteomics experiments. The OpenStructure 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 OpenStructure 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 .

Keywords: OpenStructure; computational structural biology.

zipopen filedownload file

Zip compressed file (1508.1 kbytes)
[ doi:10.1107/S0907444913007051/ ]
OpenStructure scripts.

txtdisplay filedownload file

Text file (2.8 kbytes)
[ doi:10.1107/S0907444913007051/ic5090sup2.txt ]
OpenStructure code examples.


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster