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RosettaScripts: A Scripting Language Interface to the Rosetta Macromolecular Modeling Suite
Open accessAbstract
Macromolecular modeling and design are increasingly useful in basic research, biotechnology, and teaching. However, the absence of a user-friendly modeling framework that provides access to a wide range of modeling capabilities is hampering the wider adoption of computational methods by non-experts. RosettaScripts is an XML-like language for specifying modeling tasks in the Rosetta framework. RosettaScripts provides access to protocol-level functionalities, such as rigid-body docking and sequence redesign, and allows fast testing and deployment of complex protocols without need for modifying or recompiling the underlying C++ code. We illustrate these capabilities with RosettaScripts protocols for the stabilization of proteins, the generation of computationally constrained libraries for experimental selection of higher-affinity binding proteins, loop remodeling, small-molecule ligand docking, design of ligand-binding proteins, and specificity redesign in DNA-binding proteins.
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Self-citation
Metadata
- Authors
- Fleishman, S. J., Leaver-Fay, A., Corn, J. E., Strauch, E.-M., Khare, S. D., Koga, N., Ashworth, J., Murphy, P., Richter, F., Lemmon, G., Meiler, J., & Baker, D.
- Venue
- PLoS ONE
- Publisher
- Public Library of Science (PLoS)
- Published
- 2011-06-24
- Volume
- 6
- Issue
- 6
- Pages
- e20161
- ISSN
- 1932-6203 (ISSN-L)
- OpenAlex
- W2084493621
- Cited by
- 657
- References
- 2
- FWCI
- 6.47
- Type
- journal article
- Language
- en
- Open access
- gold
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