Description Usage Arguments Value See Also Examples
Plots the correlated chemical shift distribution of any two atoms in a single residue for the 20 standard amino acids from BMRB database. By default it will generate interactive graphics using plotly library
1 | chem_shift_corr(atom1, atom2, res = NA, type = "c", interactive = TRUE)
|
atom1 |
atom name in NMR-STAR nomenclature like CA,CB2 |
atom2 |
atom name in NMR_STAR nomenclature like HA,HB2 |
res |
residue name like ALA,GLY (optional by default includes all possible amino acids) |
type |
'c' for contour plot and 's' for scatter plot default 'c'.scatter plot will be slow and heavy for large data set |
interactive |
TRUE/FALSE default=TRUE |
plot object
fetch_atom_chemical_shifts
and atom_chem_shift_corr
1 2 | #plt<-chem_shift_corr('HE21','HE22')
#plots the chemical shift distribution between HE21 and HE22
|
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