masses: Mass of Chemical Elements

Description

Determine the mass of chemical elements

Usage

masses(...)
"masses"(x, ...)
"masses"(x, ...)

Arguments

...

further arguments passed to or from other methods.

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).

Value

Details

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.

Examples

Run this code

x <- read.pdb(system.file("examples/PCBM_ODCB.pdb",package="Rpdb"))
masses(x)

masses(c("C","Cl",NA,"AA","N"))