Rpdb (version 2.3.4)

masses: Mass of Chemical Elements

Description

Determine the mass of chemical elements

Usage

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

Value

Return a numeric vector containing the mass of chemical elements.

Arguments

...

further arguments passed to or from other methods.

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).

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.

See Also

toSymbols

Examples

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

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