atom2xyz: Convert Between Atom and xyz Indices

atom2xyzR Documentation

Convert Between Atom and xyz Indices

Description

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

Usage

atom2xyz(num)
xyz2atom(xyz.ind)

Arguments

num

a numeric vector of atom indices.

xyz.ind

a numeric vector of xyz indices.

Value

A numeric vector of either xyz or atom indices.

Author(s)

Barry Grant

References

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

See Also

atom.select, read.pdb

Examples

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

bio3d documentation built on Oct. 27, 2022, 1:06 a.m.