[BioPython] Bio.PDB article in Bioinformatics
Thomas Hamelryck
thamelry at vub.ac.be
Tue Nov 25 08:26:58 EST 2003
Hi everybody,
An application note describing Bio.PDB (the Biopython PDB parser and related
code dealing with crystal structures) just appeared in Bioinformatics. For
reference and abstract see below.
Regards,
-Thomas
----
Bioinformatics. 2003 Nov 22;19(17):2308-10.
PDB file parser and structure class implemented in Python.
Hamelryck T, Manderick B.
Department of Cellular and Molecular Interactions, Vlaams Interuniversitair
Instituut voor Biotechnologie (VIB) and Computational Modeling Lab (COMO),
Department of Computer Science, Vrije Universiteit Brussel (VUB), Pleinlaan
2, 1050 Brussels, Belgium.
SUMMARY: The biopython project provides a set of bioinformatics tools
implemented in Python. Recently, biopython was extended with a set of modules
that deal with macromolecular structure. Biopython now contains a parser for
PDB files that makes the atomic information available in an easy-to-use but
powerful data structure. The parser and data structure deal with features
that are often left out or handled inadequately by other packages, e.g. atom
and residue disorder (if point mutants are present in the crystal),
anisotropic B factors, multiple models and insertion codes. In addition, the
parser performs some sanity checking to detect obvious errors.
AVAILABILITY: The Biopython distribution (including source code and
documentation) is freely available (under the Biopython license) from
http://www.biopython.org
---
Thomas Hamelryck
Computational modeling lab (COMO)
Vrije Universiteit Brussel (VUB)
Belgium
http://homepages.vub.ac.be/~thamelry
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