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  • The Inria's Research Teams produce an annual Activity Report presenting their activities and their results of the year. These reports include the team members, the scientific program, the software developed by the team and the new results of the year. The report also describes the grants, contracts and the activities of dissemination and teaching. Finally, the report gives the list of publications of the year.

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Section: New Software and Platforms

SBL

Structural Bioinformatics Library

Keywords: Structural Biology - Biophysics - Software architecture

Functional Description: The SBL is 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.

More specifically, 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 applications 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.

Release Functional Description: In 2018, major efforts targeted two points. First, the simplification of installation procedures – now possible with conda/python. Second, the development of packages revolving on molecular flexibility at large: representations in internal and Cartesian coordinates, generic representation of molecular mechanics force fields (and computation of gradients), exploration algorithms for conformational spaces.