import pandas as pd import numpy as np import matplotlib.pyplot as plt import seaborn as sns def plot_attention_map(csv_file, output_file=None, figsize=(20, 10)): data = pd.read_csv(csv_file) mutations = data['mutant'] scores = data['DMS_score'] sequence_length = max(int(mutation[1:-1]) for mutation in mutations) original_aa = {} for mutation in mutations: pos = int(mutation[1:-1]) original_aa[pos] = mutation[0] amino_acids = list('ACDEFGHIKLMNPQRSTVWY') score_matrix = np.zeros((len(amino_acids), sequence_length)) for mutation, score in zip(mutations, scores): position = int(mutation[1:-1]) - 1 target = mutation[-1] if target in amino_acids: score_matrix[amino_acids.index(target), position] = score plt.figure(figsize=figsize) ax = sns.heatmap(score_matrix, cmap='viridis', cbar=True, xticklabels=range(1, sequence_length+1), yticklabels=amino_acids) plt.title('Amino Acid Substitution Scores', fontsize=16) plt.xlabel('Position in Protein Sequence', fontsize=14) plt.ylabel('Substituted Amino Acid', fontsize=14) if output_file: plt.savefig(output_file, dpi=300, bbox_inches='tight') plt.show() plot_attention_map('scores/phi29_42.csv', output_file='amino_acid_attention_map.png')