Nuclear magnetic resonance (NMR) is a highly versatile analytical technique for studying molecular configuration, conformation,
and dynamics, especially those of biomacromolecules such as proteins. Biological Magnetic Resonance Data Bank ('BMRB') is a repository
for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules. Currently, 'BMRB' offers an R package
'RBMRB' to fetch data, however, it doesn't easily offer individual data file downloading and storing in a local directory. When using
'RBMRB', the data will stored as an R object, which fundamentally hinders the NMR researches to access the rich information from raw
data, for example, the metadata. Here, 'BMRBr' File Downloader ('BMRBr') offers a more fundamental, low level downloader, which will
download original deposited .str format file. This type of file contains information such as entry title, authors, citation, protein
sequences, and so on.
Many factors affect NMR experiment outputs, such as temperature, resonance sensitivity and etc., approximately 40% of the entries in the 'BMRB' have
chemical shift accuracy problems [1,2] Unfortunately, current reference correction methods are heavily dependent on the availability of
assigned protein chemical shifts or protein structure. This is my current research project is going to solve, which will be included
in the future release of the package. The current version of the package is sufficient and robust enough for downloading individual
'BMRB' data file from the 'BMRB' database < http://www.bmrb.wisc.edu>. The functionalities of this package includes but not limited:
* To simplifies NMR researches by combine data downloading and results analysis together.
* To allows NMR data reaches a broader audience that could utilize more than just chemical shifts but also metadata.
* To offer reference corrected data for entries without assignment or structure information (future release).
 E.L. Ulrich, H. Akutsu, J.F. Doreleijers, Y. Harano, Y.E. Ioannidis, J. Lin, et al., BioMagResBank, Nucl. Acids Res. 36 (2008) D402–8.
Author: Xi Chen Email: [email protected] Date: Jan 12, 2018 GitHub: github.com/billchenxi
BMRBr is a package that facilites R users to analyze data from BMRB data repo by simplifing the download procedure. Currently, the only way to download individual BMRB NMR-star file is to download manually or using shell code, this package frees R users by allowing users to enter only ID and store location.
Right now, the two function in this package is
collect_ids(). In future, I will release more functionalities by adding more functions.
Required two input parameter: BMRB ID and storage path.
No required parameter.
Jan 13, 2018, resubmitting the package.