masses: Mass of Chemical Elements

In Rpdb: Read, Write, Visualize and Manipulate PDB Files

Mass of Chemical Elements

Description

Determine the mass of chemical elements

Usage

masses(...)

## Default S3 method:
masses(x, ...)

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

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.

Value

Return a numeric vector containing the mass of chemical 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"))

Rpdb documentation built on Sept. 28, 2023, 5:07 p.m.