def make_sphere(x0, y0, z0, r, filename):
mesh = 10.0
theta = [i / mesh * 2 * pi for i in range(mesh)]
beta = [i / mesh * pi - pi / 2. for i in range(mesh)]
x = [cos(j) * cos(i) * r + x0 for j in beta for i in theta]
y = [cos(j) * sin(i) * r + y0 for j in beta for i in theta]
z = [sin(j) * r + z0 for j in beta for i in theta]
write_Jmol_file(filename, x, y, z)
def make_sphere(x0,y0,z0,r,filename):
mesh=10.0
theta=[i/mesh*2*pi for i in range(mesh)]
beta=[i/mesh*pi - pi/2. for i in range(mesh)]
x=[cos(j)*cos(i)*r+x0 for j in beta for i in theta]
y=[cos(j)*sin(i)*r+y0 for j in beta for i in theta]
z=[sin(j)*r+z0 for j in beta for i in theta]
write_Jmol_file(filename,x,y,z)
def write_Jmol_file_dx(filename, dx, dy, dz):
write_Jmol_file(filename, dx2x(dx), dx2x(dy), dx2x(dz))
def write_Jmol_file_dx(filename,dx,dy,dz,atom="C"):
write_Jmol_file(filename,dx2x(dx),dx2x(dy),dx2x(dz))