using Bio3DView

viewfile("benzene.sdf", "sdf")

viewpdb("1CRN")

style = Style("sphere", Dict("colorscheme"=> "greenCarbon"))
viewfile("benzene.sdf", style=style)

s = """
ATOM     72  N   ALA A  11      16.899  42.259  22.187  1.00 16.83           N
ATOM     73  CA  ALA A  11      15.960  42.201  23.284  1.00 18.31           C
ATOM     74  C   ALA A  11      15.625  43.630  23.738  1.00 17.96           C
ATOM     75  O   ALA A  11      14.821  43.804  24.675  1.00 22.53           O
ATOM     76  CB  ALA A  11      16.528  41.416  24.561  1.00 15.72           C
"""
viewstring(s, "pdb", style=Style("sphere"))

using BioStructures
struc = read("1AKE.pdb", PDB)

viewstruc(struc['A'])

viewstruc(struc, disorderselector, style=Style("sphere"))

surface = Surface(Dict("colorscheme"=> "greenCarbon"))
viewstruc(struc['A'], surface=surface)

box = Box([0.0, 0.0, 0.0], [6.0, 6.0, 6.0]) # Center and dimensions
viewfile("benzene.sdf", "sdf", box=box)

lines = [
    Line([ 0.0,  1.0,  2.0], [2.0, 7.0, 7.0]),
    Line([-3.0, -2.0, -1.0], [1.0, 4.0, 5.0])
]
cylinders = [
    Cylinder([ 0.0,  1.0,  2.0], [6.0, 7.0, 7.0]),
    Cylinder([-3.0, -2.0, -1.0], [3.0, 4.0, 5.0];
    startcap=RoundCap, stopcap=FlatCap),
]
viewfile("benzene.sdf", "sdf", lines=lines, cylinders=cylinders)

isosurface = IsoSurface("benzene.cube", 0.01)
viewfile("benzene.sdf", "sdf", isosurface=isosurface)

viewfile("IRMOF-1.xyz", "xyz"; style=Style("stick"))

isosurface = IsoSurface("IRMOF-1.cube", -5.0) # contours at -5 kJ/mol
viewfile("IRMOF-1.xyz", "xyz", isosurface=isosurface, vtkcell="IRMOF-1.vtk")

isosurface = IsoSurface("SBMOF-1.cube", 100.0, wireframe=true,
                color="green") # contours at -5 kJ/mol

viewfile("SBMOF-1.xyz", "xyz"; isosurface=isosurface, vtkcell="SBMOF-1.vtk",
            axes=Axes(5, 0.3), cameraangle=CameraAngle(0, 0, 0, 0, 0, 0, 0, 1))