Convert Between Atom and xyz Indices
Basic functions to convert between xyz and their corresponding atom indices.
atom2xyz(num) xyz2atom(xyz.ind)
num |
a numeric vector of atom indices. |
xyz.ind |
a numeric vector of xyz indices. |
A numeric vector of either xyz or atom indices.
Barry Grant
Grant, B.J. et al. (2006) Bioinformatics 22, 2695–2696.
xyz.ind <- atom2xyz(c(1,10,15)) xyz2atom( xyz.ind )
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