ESBTL: efficient PDB parser and data structure for the structural and geometric analysis of biological macromolecules.

Sébastien Loriot 1 Frédéric Cazals 1 Julie Bernauer 1, 2, *
* Corresponding author
1 ABS - Algorithms, Biology, Structure
CRISAM - Inria Sophia Antipolis - Méditerranée
2 AMIB - Algorithms and Models for Integrative Biology
LIX - Laboratoire d'informatique de l'École polytechnique [Palaiseau], LRI - Laboratoire de Recherche en Informatique, UP11 - Université Paris-Sud - Paris 11, Inria Saclay - Ile de France
Abstract : The ever increasing number of structural biological data calls for robust and efficient software for analysis. Easy Structural Biology Template Library (ESBTL) is a lightweight C++ library that allows the handling of PDB data and provides a data structure suitable for geometric constructions and analyses. The parser and data model provided by this ready-to-use include-only library allows adequate treatment of usually discarded information (insertion code, atom occupancy, etc.) while still being able to detect badly formatted files. The template-based structure allows rapid design of new computational structural biology applications and is fully compatible with the new remediated PDB archive format. It also allows the code to be easy-to-use while being versatile enough to allow advanced user developments. AVAILABILITY: ESBTL is freely available under the GNU General Public License from http://esbtl.sf.net. The web site provides the source code, examples, code snippets and documentation.
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Submitted on : Tuesday, November 16, 2010 - 11:00:31 AM
Last modification on : Thursday, July 11, 2019 - 1:20:14 AM

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Sébastien Loriot, Frédéric Cazals, Julie Bernauer. ESBTL: efficient PDB parser and data structure for the structural and geometric analysis of biological macromolecules.. Bioinformatics, Oxford University Press (OUP), 2010, 26 (8), pp.1127-8. ⟨10.1093/bioinformatics/btq083⟩. ⟨inria-00536404⟩

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