Description Usage Arguments Value See Also Examples
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
1 | fetch_res_chemical_shifts(res = "*", atm = "*")
|
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) |
R data frame that contains full chemical shift list for a given atom
fetch_atom_chemical_shifts
,filter_residue
and chemical_shift_hist
1 2 3 4 | #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
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