RBMRB (version 2.1.7)

fetch_atom_chemical_shifts: Imports all chemical shifts of a given atom from BMRB database

Description

Downloads the full chemical shift data from BMRB macromolecules/metabolomics database for a given atom

Usage

fetch_atom_chemical_shifts(atom = "*", db = "macromolecules")

Arguments

atom

atom name in NMR-STAR atom nomenclature ; Example: CA,CB2; default * (all atoms)

db

macromolecules, metabolomics (optional, by default will fetch from macromolecules database)

Value

R data frame that contains full chemical shift list for a given atom

See Also

fetch_entry_chemical_shifts,fetch_res_chemical_shifts,filter_residue and chem_shift_corr and atom_chem_shift_corr

Examples

# NOT RUN {
#df<-fetch_atom_chemical_shifts('CG2','macromolecules')
# Downloads CB2 chemical shifts from macromolecules database at BMRB
#df<-fetch_atom_chemical_shifts('C1','metabolomics')
# Downloads C1 chemical shifts from metabolomics database at BMRB
# }