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Reports (Research Report) Year : 2016

The Structural Bioinformatics Library: modeling in biomolecular science and beyond

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Abstract

Motivation: Software in structural bioinformatics has mainly been application driven. To favor practitioners seeking off-the-shelf applications, but also developers seeking advanced building blocks to develop novel applications, we undertook the design of the Structural Bioinformatics Library (SBL, http://sbl. inria.fr), a generic C++/python cross-platform software library targeting complex problems in structural bioinformatics. Its tenet is based on a modular design offering a rich and versatile framework allowing the development of novel applications requiring well specified complex operations, without compromising robustness and performances. Results: The SBL involves four software components (1-4 thereafter). For end-users, the SBL provides ready to use, state-of-the-art (1) applications to handle molecular models defined by unions of balls, to deal with molecular flexibility, to model macro-molecular assemblies. These tools can also be combined to tackle integrated analysis problems. For developers, the SBL provides a broad C++ toolbox with modular design, involving core (2) algorithms, (3) biophysical models, and (4) modules, the latter being especially suited to develop novel applications. The SBL comes with a thorough documentation consisting of user and reference manuals, and a bugzilla platform to handle community feedback. Availability: The SBL is available from
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Dates and versions

hal-01379635 , version 1 (12-10-2016)

Identifiers

  • HAL Id : hal-01379635 , version 1

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Frédéric Cazals, Tom Dreyfus. The Structural Bioinformatics Library: modeling in biomolecular science and beyond. [Research Report] RR-8957, Inria. 2016. ⟨hal-01379635⟩
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