The Structural Bioinformatics Library: modeling in biomolecular science and beyond
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
Origin : Files produced by the author(s)
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