Metadata-Version: 2.1
Name: pybmrb
Version: 1.1.5
Summary: PyBMRB provides tools to visualize chemical shift data in BMRB
Home-page: https://github.com/uwbmrb/PyBMRB
Author: Kumaran Baskaran
Author-email: kbaskaran@bmrb.wisc.edu
License: MIT
Description: # PyBMRB
        
        ## Biological Magnetic Resonance data Bank (BMRB)
        [BMRB](http://www.bmrb.wisc.edu/) collects, annotates, archives, and disseminates (worldwide in the public domain)
         the important spectral and quantitative data derived from NMR spectroscopic 
         investigations of biological macromolecules and metabolites. The goal is to empower 
         scientists in their analysis of the structure, dynamics, and chemistry of biological 
         systems and to support further development of the field of 
         biomolecular NMR spectroscopy. 
         
         BMRB maintains its data in a relational data base and also as flat files in [NMR-STAR](https://doi.org/10.1007/s10858-018-0220-3)
          format. It also provides data access via API and provide software tools to handle NMR-STAR files. 
         [PyNMRSTAR](https://github.com/uwbmrb/PyNMRSTAR) is one such tool to help read, write and parse
         NMR-STAR files. [PyBMRB](https://github.com/uwbmrb/PyBMRB) has been developed to facilitate easy data access and visualization
         of chemical shift data from BMRB. 
         
         ## Data visualization
         
        PyBMRB uses modern python visualization tool [plotly](https://plot.ly/python/) for 
        its visualization. Current version (version 1.1) features chemical shift histograms of 
        standard amino acids from BMRB data base and N<sup>15</sup>-HSQC peak position simulation
        for any given BMRB entry (or) list of BMRB entries (or) from a local assigned chemical 
        shift list in NMR-STAR format. Random coil N<sup>15</sup>-HSQC using BMRB statistics has 
        been implemented as a pilot project. 
        
        This library can produce stand alone interactive visualizations as an html file or it can 
        be used in a [Jupyter Notebook](https://jupyter.org/). Example notebooks can be found 
        [here](https://github.com/uwbmrb/PyBMRB/tree/master/pybmrb/examples)
Keywords: bmrb,hsqc,chemical shift,nmrstar,biomagresbank,biological magnetic resonance bank
Platform: UNKNOWN
Description-Content-Type: text/markdown
