SIM-XL - Spectrum Identification Machine for Cross-linked Peptides

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Spectrum Identification Machine for Cross-linked Peptides (SIM-XL) can be freely downloaded and installed with a single click on the Download button.



Publication Details

Supplementary Files

  • SIM-XL output files (*.simxlr - you need to uncompress the zip file) and parameter file can be downloaded here.
  • RAW and mzIdentML output files can be downloaded at PRIDE Repository.
  • We use a FASTA database containing the sequence of Hsp90 plus five decoys for performing the search.

Homodimer Analysis - Nature Protocols

Supplementary Files

  • A test-dataset (SIM-XL output file - *.simxlr - you need to uncompress the zip file) can be downloaded here.
    • All spectra considered trustworthy were marked as excellent to ensure the user can reproduce exactly the same result which was obtained in the protocol.
  • RAW and mzIdentML output files can be downloaded at PRIDE Repository - (PXD006574).

Requirements

Hardware

⇒ A computer with at least a 8 GB RAM and 2 computing cores is recommended.


Software

⇒ Windows 7 (32 or 64 bits) or later.

⇒ For reading Thermo® RAW files, the MSFileReader must be installed by creating an account at Thermo®, then logging and choosing Utility Software.

⇒ The .NET framework 4.6.1, which will be automatically updated by SIM-XL if necessary.

⇒ For opening the structural script to visualize the 3D model protein, the PyMOL must be installed.


Data files

⇒ SIM-XL is compatible with data files in the formats mzML 1.1.0, MS2, Mascot Generic Format (MGF), ABSciex®, Agilent® and Waters® RAW files and can work directly with Thermo® RAW files if the freely available MSFileReader is locally installed.

⇒ SIM-XL exports results to its own format (i.e., *.simxlr) and in the mzIdentlML 1.2 proposed by HUPO Proteomics Standards Initiative to support the identification of cross-linked peptides. We note this is the first search engine that enables complete submissions of XL-MS data to PRIDE, being therefore is compatible with the PRIDE Inspector software.

SIM-XL uses Comet® to perform pre-search in Dynamic DB Reduction Mode.