def main(outname,pltname):
mol_info = read_output_as_dict(outname)
plt_info = read_plt(pltname)
name = mol_info['name']
scene = Scene(name)
#scene.set_camera((0,4,0.5),(0,0,0.5))
scene.set_camera((0,10,0))
atoms = mol_info['structure']
for i,j in get_bonds_from_distance(atoms):
atnoi,xyzi = atoms[i]
atnoj,xyzj = atoms[j]
scene.add(Cylinder(xyzi,xyzj,0.1))
for atno,xyz in atoms:
r,g,b = color[atno]
sphere = Sphere(xyz,rscale*radius[atno],(r/255.,g/255.,b/255.))
scene.add(sphere)
ptris = mcube_contour(plt_info,0.1)
ntris = mcube_contour(plt_info,-0.1)
# if desired, compute normals at each vertex
ptris = smooth_tris(ptris)
ntris = smooth_tris(ntris)
if ptris: scene.add(TriangleMesh(ptris,(1,0,0)))
if ntris: scene.add(TriangleMesh(ntris,(0,0,1)))
scene.write_pov()
scene.render()
scene.display()
return
