OpenStructure: an integrated software framework for computational structural biology

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 OpenStructu...

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Veröffentlicht in:Acta crystallographica. Section D, Biological crystallography. Biological crystallography., 2013-05, Vol.69 (5), p.701-709
Hauptverfasser: Biasini, M., Schmidt, T., Bienert, S., Mariani, V., Studer, G., Haas, J., Johner, N., Schenk, A. D., Philippsen, A., Schwede, T.
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container_title Acta crystallographica. Section D, Biological crystallography.
container_volume 69
creator Biasini, M.
Schmidt, T.
Bienert, S.
Mariani, V.
Studer, G.
Haas, J.
Johner, N.
Schenk, A. D.
Philippsen, A.
Schwede, T.
description 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 http://www.openstructure.org.
doi_str_mv 10.1107/S0907444913007051
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subjects Algorithms
Biology
Computational Biology - methods
computational structural biology
Computer programs
Dengue Virus - enzymology
Density
Evolutionary
Integrated software
Integrative Structural Biology
Licenses
Methyltransferases - chemistry
Molecular Structure
OpenStructure
Programming Languages
Proteomics - methods
Sequence Alignment
Software
Three dimensional
Urease - chemistry
User-Computer Interface
title OpenStructure: an integrated software framework for computational structural biology
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