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Get the 3D coordinates of the atom.
get.point3d(atom)
A 3-element numeric vector representing the X, Y and Z coordinates.
The atom to query
Rajarshi Guha (rajarshi.guha@gmail.com)
In case, coordinates are unavailable (e.g., molecule was read in from a SMILES file) or have not been generated yet, `NA`'s are returned for the X, Y and Z coordinates.
get.point2d
if (FALSE) { atoms <- get.atoms(mol) coords <- do.call('rbind', lapply(apply, get.point3d)) }
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