hPDB – Haskell library for processing atomic biomolecular structures in protein data bank format
NMR-2, Max Planck Institute for Biophysical Chemistry, Am Faßberg 11, Göttingen, Germany
BMC Research Notes 2013, 6:483 doi:10.1186/1756-0500-6-483Published: 23 November 2013
Protein DataBank file format is used for the majority of biomolecular data available today. Haskell is a lazy functional language that enjoys a high-level class-based type system, a growing collection of useful libraries and a reputation for efficiency.
I present a fast library for processing biomolecular data in the Protein Data Bank format. I present benchmarks indicating that this library is faster than other frequently used Protein Data Bank parsing programs. The proposed library also features a convenient iterator mechanism, and a simple API modeled after BioPython.
I set a new standard for convenience and efficiency of Protein Data Bank processing in a Haskell library, and release it to open source.