Coordinates
Coordinates
MolecularGraph.coordgen
— Methodcoordgen(mol::MolGraph) -> Tuple{Array{Int,1},Array{Int,1}}
Generate 2D coordinates by using Schrodinger's coordgenlibs.
This will returns a tuple of coords
and styles
arrays. coords
is a size(n, 2) matrix where n is atom count, which stores 2D coordinates (x, y) of each atoms. styles
is a size e vector of wedge notation of stereobond, where e is bond count.