Skip to main content

A proteomics search engine for LC-MS1 spectra.

Project description

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).

Citing ms1searchpy

Ivanov et al. MS/MS-Free Protein Identification in Complex Mixtures Using Multiple Enzymes with Complementary Specificity. doi: 10.1021/acs.jproteome.7b00365

Installation

Using the pip:

pip install ms1searchpy

Dependencies

  • pyteomics
  • numpy
  • scipy
  • sklearn

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for ms1searchpy, version 1.1.4
Filename, size File type Python version Upload date Hashes
Filename, size ms1searchpy-1.1.4-py2-none-any.whl (13.7 MB) File type Wheel Python version py2 Upload date Hashes View hashes
Filename, size ms1searchpy-1.1.4.tar.gz (13.7 MB) File type Source Python version None Upload date Hashes View hashes

Supported by

Elastic Elastic Search Pingdom Pingdom Monitoring Google Google BigQuery Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page