import numpy from MMTK import * file_list=["correlations/3CH0_all_correlation_matrix.dat"] filename2 = "3CH0_all_modes_residuebondlengths.txt" def calc_residue_dist(residue_one, residue_two) : """Returns the C-alpha distance between two residues""" diff_vector = residue_one["CA"].coord - residue_two["CA"].coord return numpy.sqrt(numpy.sum(diff_vector * diff_vector)) filename in file_list: corrs = open(filename,"r") corrs = corrs.readlines() dist = open(filename2,"r") dist = dist.readlines() index = corrs[0] index=index.split() #print index for i in xrange(1,len(index)): # print i new_line=corrs[i].split() # del new_line[0:i] # print len(new_line) # print len(new_line[0]) for j in xrange(1,len(new_line)): # print j #if float(new_line[j]) == 1: # print "yes!" if float(new_line[j]) > 0.0 or float(new_line[j]) < -0.0: if float(new_line[j]) != 1.0: # if dist[j].split()[1] > 3.00 and dist[j].split()[0] == j: # print i-1, j-1 if float(dist[i-1].split()[1])> 3.9: # print dist[i-1] print i-1, j-1