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Bioinformatics. 2017 Apr 1;33(7):997-1004. doi: 10.1093/bioinformatics/btw752.

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 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.

Availability and Implementation:

The SBL is available from http://sbl.inria.fr.

Contact:

Frederic.Cazals@inria.fr.

Supplementary information:

Supplementary data are available at Bioinformatics online.

PMID:
28062450
DOI:
10.1093/bioinformatics/btw752
[Indexed for MEDLINE]

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