Merge pull request #56 from Pranavkhade/dev

predict_hinge fix 1

packman/apps/predict_hinge.py

@@ -91,12 +91,13 @@ def get_statistics(atoms,SelectedHingeResidues,filename='Output'):
 
             outputfile.write('\nSTATISTICS\n\t\tN\tMin\tMax\tMean\tMode\tMedian\tSTDDev\n')
             return_stats.append(['','N','Min','Max','Mean','Mode','Median','STDDev'])
-            outputfile.write('Total   '+'\t'+str(len(all_atoms_bfactor))+'\t'+str(numpy.min(all_atoms_bfactor))+'\t'+str(numpy.max(all_atoms_bfactor))+'\t'+str(numpy.mean(all_atoms_bfactor))+'\t'+str(mode(all_atoms_bfactor)[0][0])+'\t'+str(numpy.median(all_atoms_bfactor))+'\t'+str(numpy.std(all_atoms_bfactor))+'\n')
-            return_stats.append(['Total',len(all_atoms_bfactor),numpy.min(all_atoms_bfactor),numpy.max(all_atoms_bfactor),numpy.mean(all_atoms_bfactor),mode(all_atoms_bfactor)[0][0],numpy.median(all_atoms_bfactor),numpy.std(all_atoms_bfactor)])
-            outputfile.write('Hinge   '+'\t'+str(len(hinge_atoms_bfactor))+'\t'+str(numpy.min(hinge_atoms_bfactor))+'\t'+str(numpy.max(hinge_atoms_bfactor))+'\t'+str(numpy.mean(hinge_atoms_bfactor))+'\t'+str(mode(hinge_atoms_bfactor)[0][0])+'\t'+str(numpy.median(hinge_atoms_bfactor))+'\t'+str(numpy.std(hinge_atoms_bfactor))+'\n')
-            return_stats.append(['Hinge',len(hinge_atoms_bfactor),numpy.min(hinge_atoms_bfactor),numpy.max(hinge_atoms_bfactor),numpy.mean(hinge_atoms_bfactor),mode(hinge_atoms_bfactor)[0][0],numpy.median(hinge_atoms_bfactor),numpy.std(hinge_atoms_bfactor)])
-            outputfile.write('NonHinge'+'\t'+str(len(non_hinge_atoms_bfactor))+'\t'+str(numpy.min(non_hinge_atoms_bfactor))+'\t'+str(numpy.max(non_hinge_atoms_bfactor))+'\t'+str(numpy.mean(non_hinge_atoms_bfactor))+'\t'+str(mode(non_hinge_atoms_bfactor)[0][0])+'\t'+str(numpy.median(non_hinge_atoms_bfactor))+'\t'+str(numpy.std(non_hinge_atoms_bfactor))+'\n')
-            return_stats.append(['NonHinge',len(non_hinge_atoms_bfactor),numpy.min(non_hinge_atoms_bfactor),numpy.max(non_hinge_atoms_bfactor),numpy.mean(non_hinge_atoms_bfactor),mode(non_hinge_atoms_bfactor)[0][0],numpy.median(non_hinge_atoms_bfactor),numpy.std(non_hinge_atoms_bfactor)])
+
+            outputfile.write('Total   '+'\t'+str(len(all_atoms_bfactor))+'\t'+str(numpy.min(all_atoms_bfactor))+'\t'+str(numpy.max(all_atoms_bfactor))+'\t'+str(numpy.mean(all_atoms_bfactor))+'\t'+str(mode(all_atoms_bfactor)[0])+'\t'+str(numpy.median(all_atoms_bfactor))+'\t'+str(numpy.std(all_atoms_bfactor))+'\n')
+            return_stats.append(['Total',len(all_atoms_bfactor),numpy.min(all_atoms_bfactor),numpy.max(all_atoms_bfactor),numpy.mean(all_atoms_bfactor),mode(all_atoms_bfactor)[0],numpy.median(all_atoms_bfactor),numpy.std(all_atoms_bfactor)])
+            outputfile.write('Hinge   '+'\t'+str(len(hinge_atoms_bfactor))+'\t'+str(numpy.min(hinge_atoms_bfactor))+'\t'+str(numpy.max(hinge_atoms_bfactor))+'\t'+str(numpy.mean(hinge_atoms_bfactor))+'\t'+str(mode(hinge_atoms_bfactor)[0])+'\t'+str(numpy.median(hinge_atoms_bfactor))+'\t'+str(numpy.std(hinge_atoms_bfactor))+'\n')
+            return_stats.append(['Hinge',len(hinge_atoms_bfactor),numpy.min(hinge_atoms_bfactor),numpy.max(hinge_atoms_bfactor),numpy.mean(hinge_atoms_bfactor),mode(hinge_atoms_bfactor)[0],numpy.median(hinge_atoms_bfactor),numpy.std(hinge_atoms_bfactor)])
+            outputfile.write('NonHinge'+'\t'+str(len(non_hinge_atoms_bfactor))+'\t'+str(numpy.min(non_hinge_atoms_bfactor))+'\t'+str(numpy.max(non_hinge_atoms_bfactor))+'\t'+str(numpy.mean(non_hinge_atoms_bfactor))+'\t'+str(mode(non_hinge_atoms_bfactor)[0])+'\t'+str(numpy.median(non_hinge_atoms_bfactor))+'\t'+str(numpy.std(non_hinge_atoms_bfactor))+'\n')
+            return_stats.append(['NonHinge',len(non_hinge_atoms_bfactor),numpy.min(non_hinge_atoms_bfactor),numpy.max(non_hinge_atoms_bfactor),numpy.mean(non_hinge_atoms_bfactor),mode(non_hinge_atoms_bfactor)[0],numpy.median(non_hinge_atoms_bfactor),numpy.std(non_hinge_atoms_bfactor)])
 
             p_value = permutation_test(hinge_atoms_bfactor, non_hinge_atoms_bfactor,method='approximate',num_rounds=10000,seed=0)
             outputfile.write('\np-value:\t'+str(p_value)+'\n')