Description Usage Arguments Value See Also Examples
Downloads the full chemical shift data from BMRB macromolecules/metabolomics database for a given atom
1 | fetch_atom_chemical_shifts(atom = "*", db = "macromolecules")
|
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) |
R data frame that contains full chemical shift list for a given atom
fetch_entry_chemical_shifts
,fetch_res_chemical_shifts
,filter_residue
and chem_shift_corr
and atom_chem_shift_corr
1 2 3 4 | #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
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