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from promod3 import loop
from ost import conop
# this requires matplotlib and numpy
import matplotlib
# change next line, if you wish to use a GUI-based plot-output
matplotlib.use("Agg")
import matplotlib.pyplot as plt
import numpy as np
# load a default sampler
t_sampler = loop.LoadTorsionSampler()
# dihedral angles will be stored in here
phi = list()
psi = list()
# draw from a random distribution
for i in range(1000):
dihedral_pair = t_sampler.Draw(conop.ALA,
conop.PRO,
conop.ALA)
phi.append(dihedral_pair[0])
psi.append(dihedral_pair[1])
# and plot it
plt.xlim(-np.pi, np.pi)
plt.ylim(-np.pi, np.pi)
plt.plot(phi, psi, '.')
plt.xlabel("phi", fontsize='large')
plt.ylabel("psi", fontsize='large')
plt.title("ALA-PRO-ALA")
# store plot as png file
plt.savefig("torsion_plot.png")
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