masses: Mass of Chemical Elements

Description

Determine the mass of chemical elements

Usage

masses(...)
## S3 method for class 'default':
masses(x, ...)
## S3 method for class 'pdb':
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

Return a numeric vector containing the mass of chemical elements.

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 thetoSymbolsfunction.
Then their masses are taken from theelementsdata 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"))