Software:TPP-MaRiMba
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| MaRiMba is a software tool for the automated creation of explicitly defined transition lists required for multiple reaction monitoring (MRM) experiments. MaRiMba creates MRM transition lists from downloaded or custom-built spectral libraries, restricts output to specified proteins or peptides of interest, and filters MRM lists based on user-defined precursor peptide and product ion properties. MaRiMba can also create MRM lists containing isotopically heavy transitions for use with isotopic labeling strategies such as SILAC. MaRiMba outputs the final MRM list to a text file convenient for upload to a mass spectrometer. | MaRiMba is a software tool for the automated creation of explicitly defined transition lists required for multiple reaction monitoring (MRM) experiments. MaRiMba creates MRM transition lists from downloaded or custom-built spectral libraries, restricts output to specified proteins or peptides of interest, and filters MRM lists based on user-defined precursor peptide and product ion properties. MaRiMba can also create MRM lists containing isotopically heavy transitions for use with isotopic labeling strategies such as SILAC. MaRiMba outputs the final MRM list to a text file convenient for upload to a mass spectrometer. | ||
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| ==User's Guide== | ==User's Guide== | ||
Revision as of 01:39, 3 March 2009
TPP-MaRiMba: Branch of TPP containing MaRiMba, a tool for the creation of customized MRM lists from spectral libraries
MaRiMba is a software tool for the automated creation of explicitly defined transition lists required for multiple reaction monitoring (MRM) experiments. MaRiMba creates MRM transition lists from downloaded or custom-built spectral libraries, restricts output to specified proteins or peptides of interest, and filters MRM lists based on user-defined precursor peptide and product ion properties. MaRiMba can also create MRM lists containing isotopically heavy transitions for use with isotopic labeling strategies such as SILAC. MaRiMba outputs the final MRM list to a text file convenient for upload to a mass spectrometer.
Contents |
User's Guide
MaRiMba is most easily operated through the Petunia web interface of the TPP. To access MaRiMba, launch the TPP interface and browse to SpectraST Tools --> MaRiMba. The MaRiMba interface provides the user with various options for MRM list creation and customization. The steps of MRM list generation with MaRiMba are described below.
1. Select a spectral library on which to base the MRM list [required input]
The selected spectral library serves as the source of transitions for the ensuing MRM list. This spectral library can be downloaded or custom-built, but it must be in the SpectraST-compatible .splib format. If the former is desired, the user can download largely comprehensive spectral libraries from PeptideAtlas, which distributes SpectraST-compatible libraries for common NIST databases (http://www.peptideatlas.org/speclib/). If the latter is preferred, the user can create a spectral library from his/her own shotgun-MS data using SpectraST, which is available in the TPP software suite with which MaRiMba is packaged.
2. Select a protein database corresponding the organism(s) in question [required input]
This database represents the entity against which both protein identifiers and peptide-protein uniqueness are determined, as MaRiMba re-maps all library entries to the proteins in this database. By default, all unmapped peptides are removed from the spectral library. Further mapping options are included in the Filtering Options section (see Step X below).
3. Select a list of proteins or peptides to which the MRM list should be restricted [optional input]
To restrict the MRM list to a set of proteins, the input protein list must be a tab-delimited text file containing a single column of protein identifiers corresponding to the proteins of interest. These identifiers must be of the same naming system used in the protein database provided in Step 2.
To restrict the MRM list to a set of peptides, the input peptide list must be a tab-delimited text file containing a single column of peptides in the format XXXXX/z, where XXXXX is the peptide sequence and z is the charge state. The charge state must be specified because MaRiMba works at the peptide ion level, treating peptides of different charge states as separate entries altogether, due to their unique m/z values. Modifications can be specified in the sequence by listing, to the right of the modified residue, the modified mass rounded to the nearest digit. For example, the entry LGPNYLQIPVNC[160]PYR/2 specifies the peptide LGPNYLQIPVNCPYR with charge state 2+ and carbamiodomethyl cysteine.
Either a protein or peptide list can be specified, but not both. If no list is specified, all peptides from the spectral library that meet the filtering criteria will remain in the MRM list.
Getting the Software
Current Version
The current version of TPP-MaRiMba is 4.1.0. This number reflects the main TPP version number, from which TPP-MaRiMba is branched. TPP-MaRiMba is slated for public release in early 2009, after which MaRiMba will merged with the main TPP release.
Requirments
- Windows XP, Service Pack 2 or above
- ActivePerl, version 5.8 or above
For instrument-to-mzXML conversion, a non-MaRiMba-related component of the TPP, you will also need the corresponding vendor software on the same system. See Formats:mzXML for more information.
Downloading the software
The software will be available for public download from this site after publication of the manuscript (currently under review).
Installing the software
- Download and install ActivePerl, version 5.8 or above (http://www.activestate.com/activeperl/)
- Download and run the TPP-MaRiMba installer, following the directions for default installation
Resources
- To receive email announcements regarding the TPP, sign up for the SPC Tools Announcement Group at spctools-announce.googlegroups.com
- To post a question or comment regarding TPP and/or MaRiMba, use the SPC Tools Discussion Group at spctools-discuss.googlegroups.com
- Public spectral libraries are available for download at PeptideAtlas
