ms1searchpy 1.1.0

A proteomics search engine for LC-MS1 spectra.

ms1searchpy - a proteomics search engine for LC-MS1 spectra

The .tsv (or mzML) and .fasta files are required for basic operation of the script. tsv file is tab-separated text file with peptide features generated by Dinosaur software (J.Teleman et al., “Dinosaur: A Refined Open-Source Peptide MS Feature Detector”, JPR 2016) from mzML file. This file can be generated by any other software for peak-picking and must contain columns ‘massCalib’, ‘rtApex’, ‘charge’ and ‘nIsotopes’ columns. For a сonvenient usage, mzML files can be used directly and the script will run an attached version of Dinosaur (installed Java is required). For an efficient usage of retention time, user can install and use ELUDE prediction algorithm (-elude path_to_elude_binary should be used in parameters).

Algorithm can be run with following command:

python search.py path_to_MZML -d path_to_fasta

OR

python search.py path_to_peptideFeatures -d path_to_fasta

The script output contains files: all identified proteins (filename_proteins_full.csv), filtered proteins (filename_proteins.csv), all matched peptide match fingerprints (filename_PFMs.csv).

To combine results of MS1 searches use the following command:

python combine.py results_1_proteins_full.csv … results_n_proteins_full.csv

Dependencies

• pyteomics

• numpy

• scipy

• sklearn

Links

• BitBucket repo & issue tracker: https://bitbucket.org/markmipt/ms1searchpy

• Mailing list: [e-mail]

• Dinosaur repo: https://github.com/fickludd/dinosaur