4c52bf72787eb68da4786aa294ffefb07635d200,doc/examples/scripts/structure/ramachandran.py,,,#,22

Before Change

phi= phi[1:-1]
psi= psi[1:-1]
// Creation of 2D-histogram
hist, psi_edges, phi_edges = np.histogram2d(
    psi, phi, bins=72, normed=True, range=[[-180,180],[-180,180]])

fig = plt.figure()
ax = fig.add_subplot(111)
im = ax.contourf(phi_edges[:-1], psi_edges[:-1], hist, cmap="afmhot",

After Change

data_set = np.vstack([phi, psi])
density = sts.gaussian_kde(data_set)(data_set)
// Ensure that high density colors are rendered in front
i_sorted = density.argsort()
phi = phi[i_sorted]
psi = psi[i_sorted]
density = density[i_sorted]
// Normalize, so that the lonliest point gets a value of 1
density = density / np.min(density)

// Plot density

Instances