PyBMRB: Data visualization tool for BioMagResBank


The Biological Magnetic Resonance Data Bank (BioMagResBank or BMRB, founded in 1988, is the international, open archive for data generated by Nuclear Magnetic Resonance (NMR) spectroscopy of biological systems. NMR spectroscopy is unique among biophysical approaches in its ability to provide a broad range of atomic and higher-level information relevant to the structural, dynamic, and chemical properties of biological macromolecules, as well as report on metabolite and natural product concentrations in complex mixtures and their chemical structures. NMR-STAR is the official data format of BMRB and BMRB provides python parser (PyNMRSTAR, a data visualization tool (PyBMRB and an Application Program Interface (API)(BMRB-API to access the BMRB archive. PyBMRB displays the chemical shifts data in each entry as a simulated NMR spectrum and to generates database-wide chemical shift histograms of different atom types in proteins and nucleic acids. PyBMRB provides access to BMRB data through the API and generates portable and interactive visualizations as a single html file. It also supports data visualization workflows using Jupyter Notebooks, which can be both easily created and shared.

Keywords:NMR Spectroscopychemical shiftsproteinsBiological Magnetic Resonance data Bank(BMRB)NMR-STARchemical shift histogramHSQC