RBMRB: BMRB Data Access and Visualization

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The Biological Magnetic Resonance Data Bank (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(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.

Author
Kumaran Baskaran
Date of publication
2016-11-18 10:58:02
Maintainer
Kumaran Baskaran<kbaskaran@bmrb.wisc.edu>
License
GPL-2
Version
2.0
URLs

View on CRAN

Man pages

chemical_shift_corr
Chemical shift correlation between any two atoms from a...
convert_cs_to_c13hsqc
Reformats chemical shift dataframe for easy plotting
convert_cs_to_n15hsqc
Reformats chemical shift dataframe for easy plotting
convert_cs_to_tocsy
Reformats chemical shift dataframe for easy plotting
fetch_atom_chemical_shifts
NMR Chemical shifts list for a given atom from BMRB
fetch_entry_chemical_shifts
Imports NMR Chemical Shift data from BMRB into R data frame
filter_residue
Filter for standard 20 amino acids
HSQC_13C
Simulates H1-C13 HSQC spectra for a given entry or list of...
HSQC_15N
Simulates H1-N15 HSQC spectra for a given entry or list of...
TOCSY
Simulates TOCSY spectra for a given entry or a list of...

Files in this package

RBMRB
RBMRB/NAMESPACE
RBMRB/R
RBMRB/R/RBMRB.R
RBMRB/MD5
RBMRB/DESCRIPTION
RBMRB/man
RBMRB/man/convert_cs_to_tocsy.Rd
RBMRB/man/filter_residue.Rd
RBMRB/man/convert_cs_to_c13hsqc.Rd
RBMRB/man/fetch_entry_chemical_shifts.Rd
RBMRB/man/HSQC_15N.Rd
RBMRB/man/chemical_shift_corr.Rd
RBMRB/man/TOCSY.Rd
RBMRB/man/fetch_atom_chemical_shifts.Rd
RBMRB/man/HSQC_13C.Rd
RBMRB/man/convert_cs_to_n15hsqc.Rd