aa.table | R Documentation |
This data set provides the atomic masses of a selection of amino acids regularly occuring in proteins.
aa.table
A data frame with the following components.
aa3
a character vector containing three-letter amino acid code.
aa1
a character vector containing one-letter amino acid code.
mass
a numeric vector containing the mass of the respective amino acids.
formula
a character vector containing the formula of the amino acid in which the mass calculat was based.
name
a character vector containing the full names of the respective amino acids.
Grant, B.J. et al. (2006) Bioinformatics 22, 2695–2696.
aa2mass
, aa.index
,
atom.index
, elements
,
data(aa.table)
aa.table
## table look up
aa.table["HIS", ]
## read PDB, and fetch residue masses
pdb <- read.pdb(system.file("examples/1hel.pdb", package="bio3d"))
aa2mass(pdb)
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