masses {Rpdb} | R Documentation |
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
Examples
x <- read.pdb(system.file("examples/PCBM_ODCB.pdb",package="Rpdb"))
masses(x)
masses(c("C","Cl",NA,"AA","N"))
[Package Rpdb version 2.3.4 Index]