pdb without CHAIN working again and plot fluct+bfactor

[django_unres.git] / files / matplotlib_fit_hist.py

diff --git a/files/matplotlib_fit_hist.py b/files/matplotlib_fit_hist.py
index bd4dbea..cbdafe0 100755 (executable)
--- a/files/matplotlib_fit_hist.py
+++ b/files/matplotlib_fit_hist.py
@@ -27,7 +27,7 @@ with open('md.stat','r') as f:
 
 if ncolumns==14:  
  x,y= np.loadtxt('md.stat',usecols=(0,10),skiprows=10,unpack=True)
- x1,e,r,gy= np.loadtxt('md.stat',usecols=(0,3,5,12),skiprows=0,unpack=True)
+ x1,e,r,gy,nc= np.loadtxt('md.stat',usecols=(0,3,5,12,6),skiprows=0,unpack=True)
 else:
  x,y= np.loadtxt('md.stat',usecols=(0,6),skiprows=10,unpack=True)
  x1,e,gy= np.loadtxt('md.stat',usecols=(0,3,8),skiprows=0,unpack=True)
@@ -62,10 +62,22 @@ plt.ylabel('potential energy')
 plt.plot(x1,e,'.')
 plt.savefig('md_ene.png')
 
+plt.clf()
+plt.xlabel('step')
+plt.ylabel('radius of gyration')
+plt.plot(x1,gy,'.')
+plt.savefig('md_gyr.png')
+
 if ncolumns==14:
  plt.clf()
  plt.xlabel('step')
  plt.ylabel('RMSD')
  plt.plot(x1,r,'.')
  plt.savefig('md_rms.png')
+
+ plt.clf()
+ plt.xlabel('step')
+ plt.ylabel('fraction of native side-chain concacts')
+ plt.plot(x1,nc,'.')
+ plt.savefig('md_fracn.png')
  
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