Section: New Software and Platforms
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.