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RBMRB (version 2.1.7)

BMRB Data Access and Visualization

Description

The Biological Magnetic Resonance Data Bank (BMRB,) collects, annotates, archives, and disseminates (worldwide in the public domain) the important spectral and quantitative data derived from NMR(Nuclear Magnetic Resonance) spectroscopic investigations of biological macromolecules and metabolites. This package provides an interface to BMRB database for easy data access and includes a minimal set of data visualization functions. Users are encouraged to make their own data visualizations using BMRB data.

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Version

Install

install.packages('RBMRB')

Monthly Downloads

80

Version

2.1.7

License

GPL-2

Issues

1

Pull Requests

0

Stars

7

Forks

1

Maintainer

Kumaran Baskaran

Last Published

July 11th, 2021

Functions in RBMRB (2.1.7)

chemical_shift_hist

Plots chemical shift distribution
filter_outlier

Remove chemical shift outliers
chem_shift_corr

Chemical shift correlation between any two atoms from a single residue
filter_residue

Filter for standard 20 amino acids
HSQC_13C

Simulates H1-C13 HSQC spectra for a given entry or list of entries from BMRB
HSQC_15N

Simulates H1-N15 HSQC spectra for a given entry or list of entries from BMRB
fetch_res_chemical_shifts

Imports chemical shift data for a given amino acid/nucleic acid
atom_chem_shift_corr

Chemical shift correlation between given pair of atoms in a given amino acid (or) nucleic acid
TOCSY

Simulates TOCSY spectra for a given entry or a list of entries from BMRB
fetch_entry_cs

Imports checmial shift table for a given entry id from BMRB data base
makeRandomString

Generates random string of fixed length(for internal use in RBMRB)
convert_cs_to_c13hsqc

Reformats chemical shift dataframe for easy plotting
convert_cs_to_n15hsqc

Reformats chemical shift dataframe for easy plotting
fetch_entry_chemical_shifts

Imports chemical shift table for a given entry or list of entries from BMRB data base
fetch_atom_chemical_shifts

Imports all chemical shifts of a given atom from BMRB database
chemical_shift_hist_res

Plots chemical shift distribution of all atoms of a given amino acid
convert_cs_to_tocsy

Reformats chemical shift dataframe for easy plotting
export_star_data

Exports NMR-STAR file to BMRB API server
chemical_shift_hists

Plots chemical shift distribution for a list of atoms