[HTML][HTML] RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite

SJ Fleishman, A Leaver-Fay, JE Corn, EM Strauch… - PloS one, 2011 - journals.plos.org
PloS one, 2011journals.plos.org
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 …
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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