diff --git a/Utilities/for_fastas/Cluster.py b/Utilities/for_fastas/Cluster.py new file mode 100644 index 0000000..a64d6e6 --- /dev/null +++ b/Utilities/for_fastas/Cluster.py @@ -0,0 +1,73 @@ +''' +#Author, date: Godwin Ani and Laura Katz, Feb 9th 2023 +#Modified: Adri Grow, April 6th 2025 to allow clustering at 100% (1.0) and output renamed file(s) with id clustered appended to file name +#Dependencies: Python3, CD-Hit +#Intent: For clustering nucleotide or amino acid sequences with the CD-Hit program +#Inputs: A folder of containing AA or DNA fasta files +#Outputs: A folder of clustered files +#Example: python Cluster.py -t dna -id 0.95 -ov 0.67 -i input_folder_dna -o output_folder_dna +''' + +import os +import argparse +from tqdm import tqdm +import subprocess + +def input_validation(value, error_message): + try: + value = float(value) + if value == 1.0: + return value + integer, fractional = str(value).split('.') + if int(integer) == 0 and len(fractional) == 2: + return value + except ValueError: + pass + print(error_message) + exit(1) + +def cluster_sequences(program, identity, overlap, input_folder, output_folder): + for file in tqdm(os.listdir(input_folder)): + if file.endswith('.fasta'): + output_name = f"{os.path.splitext(file)[0]}_{int(float(identity) * 100)}clustered.fasta" + subprocess.run([f'{program}', '-i', f'{input_folder}/{file}', '-o', f'{output_folder}/{output_name}', '-c', f'{identity}', '-d', '0', '-aS', f'{overlap}']) + + for file in os.listdir(output_folder): + if file.endswith('.clstr'): + base_name = os.path.splitext(file)[0] # removes .clstr + if base_name.endswith('.fasta'): + base_name = base_name[:-6] # removes .fasta from end + new_name = f"{base_name}.txt" + os.rename(f'{output_folder}/{file}', f'{output_folder}/{new_name}') + +def main(): + parser = argparse.ArgumentParser(description='Cluster amino acid or nucleotide sequences using CD-HIT.') + parser.add_argument('-t', '--type', choices=['aa', 'dna'], required=True, help='Type of sequences (aa for amino acid, dna for nucleotide)') + parser.add_argument('-id','--identity', type=str, required=True, help='Sequence identity threshold (e.g. 1.0, 0.99, 0.95)') + parser.add_argument('-ov', '--overlap', type=str, required=True, help='Sequence alignment overlap value (e.g. 0.67, 0.75)') + parser.add_argument('-i', '--input_files', type=str, required=True, help='Input folder containing sequences in fasta format') + parser.add_argument('-o', '--output', type=str, required=True, help='Output folder for clustered sequences ending with -id value') + + args = parser.parse_args() + + if not os.path.isdir(args.input_files): + print(f'Error: Input folder "{args.input_files}" does not exist.') + exit(1) + + if not os.path.isdir(args.output): + os.mkdir(args.output) + + if args.type == 'aa': + identity = input_validation(args.identity, 'ERROR! Use format 0.## or 1.0 for amino acid sequence identity threshold.') + overlap = input_validation(args.overlap, 'ERROR! Use format 0.## for amino acid sequence alignment overlap value.') + cluster_sequences('cd-hit', identity, overlap, args.input_files, args.output) + elif args.type == 'dna': + identity = input_validation(args.identity, 'ERROR! Use format 0.## or 1.0 for nucleotide sequence identity threshold.') + overlap = input_validation(args.overlap, 'ERROR! Use format 0.## for nucleotide sequence alignment overlap value.') + cluster_sequences('cd-hit-est', identity, overlap, args.input_files, args.output) + else: + print('Invalid sequence type. Choose "aa" for amino acids or "dna" for nucleotides.') + exit(1) + +if __name__ == "__main__": + main()