import prody as pd
import matplotlib.pyplot as plt
import numpy as np
xray = pd.parsePDB('7REF', chain='A')
nmr = pd.parsePDB('7S0N', chain='A')
RMSFs = [np.mean(pd.calcRMSF(res)) for res in nmr.iterResidues()]
mean_betas = []
for res in xray.iterResidues():
if 'CA' in res.getNames():
mean_beta = np.mean(res.getBetas())
mean_betas.append(mean_beta)
if len(mean_betas[:-1]) == len(RMSFs):
print(True)
import matplotlib.pyplot as plt
fig,ax = plt.subplots()
ax.scatter(mean_betas[:-1], RMSFs, s=1)
ax.set_xlabel('Beta-factor')
ax.set_ylabel('RMSFs')
plt.plot()
fig.show()
plt.savefig('pr5_plot.png')