RBMRB (version 2.1.7)

fetch_res_chemical_shifts: Imports chemical shift data for a given amino acid/nucleic acid

Description

Downloads chemical shift data from BMRB macromolecular database for a given amino acid (or) nucleic acid. Optionally particular atom can be specified in the parameter

Usage

fetch_res_chemical_shifts(res = "*", atm = "*")

Arguments

res

residue name in NMR-STAR atom nomenclature ; Example: ALA,GLY ; default '*' (all residues)

atm

atom name in NMR-STAR nomenclautre ; Example :CA,HB2; default * (all atoms)

Value

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

See Also

fetch_atom_chemical_shifts,filter_residue and chemical_shift_hist

Examples

# NOT RUN {
#df<-fetch_res_chemical_shifts('GLY')
# Downloads chemical shift data of all atoms of GLY
#df<-fetch_res_chemical_shifts('ALA','CA')
# Downloads C alpha chemical shifts of ALA from macromolecules database at BMRB
# }