BlibBuild

Description:  Creates a library of spectra with known peptide identifications. Typically, these identifications are done with a database search such as SEQUEST or Mascot, sometimes followed by an evaluation step such as percolator or Peptide Prophet. BlibBuild accepts files from a variety of database search programs. File formats are identified by file extension, which are given in the table below. In many cases, the peptide identification (peptide sequence, charge state and optional score) are in a separate file from the spectrum information. Unless noted, it is assumed that both files will be in the same directory.

Database search Peptide ID file extension Spectrum file extension Notes
SEQUEST / Percolator.perc.xml (.sqt) .cms2, .ms2 Percolator v1.17 does not include sequence modification information therefore the .sqt file from the SEQUEST search must be present in the same directory.
Peptide Prophet.pep.xml, .pep.XML, .pepXML .mzXML The names of the .mzXML files are given in the .pep.xml file and may be in the parent or grandparent directory.
Spectrum Mill.pep.xml, .pep.XML, .pepXML .mzXML, .mzML The names of the .mzXML files are given in the .pep.xml file and may be in the parent or grandparent directory.
OMSSA.pep.xml, .pep.XML, .pepXML.mzXML, .mzML The names of the .mzXML files are given in the .pep.xml file and may be in the parent or grandparent directory.
X! Tandem.xtan.xml  No separate spectrum file.
Mascot.dat  No separate spectrum file. Windows only.
Protein Pilot.group.xml  No separate spectrum file.
ID Picker (Myrimatch).idpXML .mzXML, .mzML The name(s) of the spectrum file(s) are given in the .idpXML file
Scaffold.mzid.MGF  
MSefinal_fragment.csv  There need not be a . before 'final_fragment'.
generic.ssl  This generic format is provided for peptide identifications made by other means. See the file formats page for a description.

Usage:  BlibBuild [options]  <peptide id file>[+]  <library name>

Input:

Output:  A spectrum library in in sqlite3 format.

Options:


BiblioSpec