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import os
os.system("pip install streamlit pandas xlsxwriter openpyxl matplotlib")
import streamlit as st
import pandas as pd
import xlsxwriter
from io import BytesIO
from collections import Counter
import matplotlib.pyplot as plt # Added for pie chart
# Set of 20 standard amino acids
AMINO_ACIDS = set("ACDEFGHIKLMNPQRSTVWY")
st.set_page_config(page_title="Amino Acid Percentage Tool", layout="wide")
st.title("🧬 Amino Acid Percentage Analyzer")
uploaded_file = st.file_uploader("Upload Excel file (with Entry, Protein Name, Sequence)", type=["xlsx"])
if uploaded_file and st.button("Analyze File"):
df = pd.read_excel(uploaded_file)
if len(df.columns) < 3:
st.error("The file must have at least three columns: Entry, Protein Name, Sequence")
else:
entry_col = df.columns[0]
name_col = df.columns[1]
seq_col = df.columns[2]
all_counts = Counter()
all_length = 0
result_rows = []
for _, row in df.iterrows():
entry = str(row[entry_col])
name = str(row[name_col])
sequence = str(row[seq_col]).replace(" ", "").replace("\"", "").strip().upper()
sequence = ''.join(filter(lambda c: c in AMINO_ACIDS, sequence))
length = len(sequence)
if length == 0:
continue
count = Counter(sequence)
all_counts.update(count)
all_length += length
percentage = {aa: round(count[aa] / length * 100, 2) for aa in AMINO_ACIDS}
result_rows.append({"Entry": entry, "Protein Name": name, **percentage})
# Calculate overall percentage
overall_percentage = {aa: round(all_counts[aa] / all_length * 100, 2) for aa in AMINO_ACIDS}
overall_row = {"Entry": "OVERALL", "Protein Name": "ALL SEQUENCES", **overall_percentage}
# Combine overall row first, then all individual rows
df_result = pd.concat([pd.DataFrame([overall_row]), pd.DataFrame(result_rows)], ignore_index=True)
st.dataframe(df_result)
# 🔵 Pie Chart for Overall Stats
st.subheader("🧁 Overall Amino Acid Composition (Pie Chart)")
fig, ax = plt.subplots()
labels = list(overall_percentage.keys())
sizes = list(overall_percentage.values())
# Filter zero values
filtered = [(label, size) for label, size in zip(labels, sizes) if size > 0]
labels, sizes = zip(*filtered)
ax.pie(sizes, labels=labels, autopct='%1.1f%%', startangle=90, counterclock=False)
ax.axis('equal') # Equal aspect ratio ensures that pie is drawn as a circle.
st.pyplot(fig)
# Export to Excel
def to_excel(df):
output = BytesIO()
workbook = xlsxwriter.Workbook(output, {'in_memory': True})
worksheet = workbook.add_worksheet("Amino Acid %")
header_format = workbook.add_format({'bold': True, 'bg_color': '#CDEDF6'})
for col_num, col_name in enumerate(df.columns):
worksheet.write(0, col_num, col_name, header_format)
for row_num, row in enumerate(df.itertuples(index=False), start=1):
for col_num, value in enumerate(row):
worksheet.write(row_num, col_num, value)
workbook.close()
output.seek(0)
return output
excel_file = to_excel(df_result)
st.download_button(
label="Download Excel Report",
data=excel_file,
file_name="amino_acid_percentage.xlsx",
mime="application/vnd.openxmlformats-officedocument.spreadsheetml.sheet"
)
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