A collection of scripts developed to support ongoing comparative proteomics research in the Saier Lab at the University of California, San Diego.
Currently, there are some programs that need to be installed on the system in order to be able to execute one of the main script, evaluateAlignments.py. These are:
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We utilize local BLAST databases to store and access sequences from TCDB and any metagenomes used in our research.
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We use ssearch36 (a part of the FASTA suite of programs) to perform alignment and generate standardized alignment statistics.
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For prediction of TransMembrane Segments, we utilize hmmtop.
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evaluateAlignments.py
The first step in the workflow is using the evaluateAlignments.py script to process the analyses performed to generate a a list of homologues by comparing a proteome against TCDB. The goal is to standardize the alignment statistics by using ssearch36.
usage: evaluateAlignments.py [-h] [-i INFILE] [-of OUTFILE] [-od OUTDIR] A tool developed to standardize the alignment statistics used for comparative proteomic analysis in the Saier Lab at UCSD. Currently, protein sequences are acquired from BLAST databases using blastdbcmd and all alignments are performed using ssearch36. optional arguments: -h, --help show this help message and exit -i INFILE, --infile INFILE The path to the tsv file containing the results of a proteome analysis -of OUTFILE, --outfile OUTFILE The name for the file containing alignment statistics (without the file extension), which will be place in the output directory. Default is results -od OUTDIR, --outdir OUTDIR The path to the directory where all the analysis files will be output. Default is ./output
The input format for the infile (-i) is a tab-separated value (tsv) file with 3 columns in this order:
Query Accession TCDB Protein Accession TCDB ID If you have a header in your file, please add a #
character at the beginning of the line, so the program will skip the header. -
createTables.py
This is the script to create the master tables.
usage: createTables.py [-h] [-i INPUT_DIRECTORY] [-of OUTFILE] [-od OUTDIR] A command line tool to process proteome analysis tables optional arguments: -h, --help show this help message and exit -i INPUT_DIRECTORY, --input_directory INPUT_DIRECTORY The path to the directory containing all the tsv files containing analysis. -of OUTFILE, --outfile OUTFILE The name of the final file containing the master table. -od OUTDIR, --outdir OUTDIR The path to the directory where all the analysis files will be output.
Formatting for the input files is as a tsv with the columns in the following:
#query q_tms acc s_tms tcid evalue pident qcov scov