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 |
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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 |
| format | Article |
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| ispartof | Acta crystallographica. Section D, Biological crystallography., 2013-05, Vol.69 (5), p.701-709 |
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| source | MEDLINE; Access via Wiley Online Library; Alma/SFX Local Collection |
| 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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