def get_mean_AA_freqs(file): freqs = [] aa_counts = [] input = open(file, "r") protein_data = input.readlines() input.close() site_data = af.get_transformed_data(protein_data) for site in site_data: new_site = [] for element in site: new_site.append(float(element)) freqs.append(new_site) freq_array = np.array(freqs) m,n = freq_array.shape total_aa = sum(freq_array) m,n = freq_array.shape j = 0 while (j < n): aa_freq_sum = sum(freq_array[:, j]) aa_counts.append(float(aa_freq_sum)/float(total_aa)) j = j + 1 return aa_counts
def get_mean_AA_freqs(file): freqs = [] aa_counts = [] input = open(file, "r") protein_data = input.readlines() input.close() site_data = af.get_transformed_data(protein_data) for site in site_data: new_site = [] for element in site: new_site.append(float(element)) freqs.append(new_site) freq_array = np.array(freqs) m, n = freq_array.shape total_aa = sum(freq_array) m, n = freq_array.shape j = 0 while (j < n): aa_freq_sum = sum(freq_array[:, j]) aa_counts.append(float(aa_freq_sum) / float(total_aa)) j = j + 1 return aa_counts
def get_position_count_data(file): buried_counts = [] surface_counts = [] buried_sites = [] surface_sites= [] input = open(file, "r") protein_data = input.readlines() input.close() RSA = af.get_RSA_Values(file) alignment_length = len(RSA) site_data = af.get_transformed_data(protein_data) #print RSA #print site_data i = 0 for site in site_data: if(float(RSA[i]) < 0.05): buried_sites.append(site) else: surface_sites.append(site) i = i + 1 buried_array = np.array(buried_sites) surface_array = np.array(surface_sites) #print buried_array #print buried_array buried_m, buried_n = buried_array.shape buried_total_sum = sum(sum(buried_array)) #print buried_m #print buried_n surface_m, surface_n = surface_array.shape surface_total_sum = sum(sum(surface_array)) #print surface_total_sum j = 0 while (j < buried_n): buried_site_sum = sum(buried_array[:, j]) buried_counts.append(float(buried_site_sum)/float(buried_total_sum)) j = j + 1 j = 0 while (j < surface_n): surface_site_sum = sum(surface_array[:, j]) surface_counts.append(float(surface_site_sum)/float(surface_total_sum)) j = j + 1 return buried_counts, surface_counts
def get_position_count_data(file): buried_counts = [] surface_counts = [] buried_sites = [] surface_sites = [] input = open(file, "r") protein_data = input.readlines() input.close() RSA = af.get_RSA_Values(file) alignment_length = len(RSA) site_data = af.get_transformed_data(protein_data) i = 0 for site in site_data: if (float(RSA[i]) <= 0.05): buried_sites.append(site) else: surface_sites.append(site) i = i + 1 buried_array = np.array(buried_sites) surface_array = np.array(surface_sites) buried_m, buried_n = buried_array.shape buried_total_sum = sum(sum(buried_array)) surface_m, surface_n = surface_array.shape surface_total_sum = sum(sum(surface_array)) #print surface_total_sum j = 0 while (j < buried_n): buried_site_sum = sum(buried_array[:, j]) buried_counts.append(float(buried_site_sum) / float(buried_total_sum)) j = j + 1 j = 0 while (j < surface_n): surface_site_sum = sum(surface_array[:, j]) surface_counts.append( float(surface_site_sum) / float(surface_total_sum)) j = j + 1 return buried_counts, surface_counts