Esempio n. 1
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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)
Esempio n. 2
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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)
Esempio n. 3
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def write_Jmol_file_dx(filename, dx, dy, dz):
    write_Jmol_file(filename, dx2x(dx), dx2x(dy), dx2x(dz))
Esempio n. 4
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def write_Jmol_file_dx(filename,dx,dy,dz,atom="C"):
    write_Jmol_file(filename,dx2x(dx),dx2x(dy),dx2x(dz))