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

Sébastien Loriot | Zendy; Frédéric Cazals | Zendy; Julie Bernauer | Zendy

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

Author(s) -

Sébastien Loriot,

Frédéric Cazals,

Julie Bernauer

Publication year - 2010

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btq083

Subject(s) - parsing , computer science , protein data bank (rcsb pdb) , mit license , code (set theory) , software , documentation , source code , programming language , data structure , license , information retrieval , data mining , operating system , set (abstract data type) , physics , nuclear magnetic resonance

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.

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