Convert Between Atom and xyz Indices

Usage

atom2xyz(num)
xyz2atom(xyz.ind)

Arguments

num
a numeric vector of atom indices.
xyz.ind
a numeric vector of xyz indices.

Description

Basic functions to convert between xyz and their corresponding atom indices.

Value

A numeric vector of either xyz or atom indices.

References

Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696.

Examples

xyz.ind <- atom2xyz(c(1,10,15))
xyz2atom( xyz.ind )



[1]  1 10 15

See also

atom.select, read.pdb

Author

Barry Grant