Mass of Chemical Elements
Determine the mass of chemical elements
masses(...) ## Default S3 method: masses(x, ...) ## S3 method for class 'pdb' masses(x, ...)
x |
either a character or an integer vector containing element symbols or atomic numbers, or an object of class ‘pdb’ from which element symbols are determined (see details). |
... |
further arguments passed to or from other methods. |
masses is a generic function to determine the mass of chemical
elements.
For objects of class ‘pdb’:
First the
element names are converted into element symbols using the toSymbols
function.
Then their masses are taken from the elements data
set.
NA values are returned for unrecognized elements.
Return a numeric vector containing the mass of chemical elements.
x <- read.pdb(system.file("examples/PCBM_ODCB.pdb",package="Rpdb"))
masses(x)
masses(c("C","Cl",NA,"AA","N"))Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.