index.rst

Welcome to PyBMRB Baskaran2021

A Python module for visualizing Nuclear Magnetic Resonance(NMR) chemical shift data from Biological Magnetic Resonance data Bank Ulrich2007 (BMRB) and from NMR-STAR Ulrich2019 format files. PyBMRB helps the user to view the one dimensional chemical shift list a multi-dimensional NMR spectrum. In addition to that Chemical shift distribution of different atom types can also be visualized as histograms and heatmaps using this library.

This package uses PyNMRSTAR to parse the NMR-STAR files and BMRB-API to fetch the data directly from BMRB, which avoids the hassle of downloading and parsing the data from BMRB for visualization purpose. This package is developed and maintained by BMRB.

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Sample visualizations

Click the figure caption for interactive visualization

Figure 1 : ¹ H - ¹⁵ N -HSQC

Figure 2 : ¹ H - ¹³ C -HSQC

Figure 3 : CB-Histogram

Figure 4 : Chemical shift correlation of CYS N and CB

usage/pybmrb-introduction usage/quick-start usage/example usage/full release-notes