This application is used to digest a protein database to get all peptides given a cleavage enzyme. It will also produce peptide statistics given the mass accuracy of the instrument. You can extract peptides with specific motifs,e.g. onyl cysteine containing peptides for ICAT experiments. At the moment only trypsin is supported.

Note: Currently mzIdentML (mzid) is not directly supported as an input/output format of this tool. Convert mzid files to/from idXML using IDFileConverter if necessary.

The command line parameters of this tool are:

DigestorMotif -- digests a protein database in-silico
Full documentation: http://www.openms.de/doxygen/release/3.0.0/html/UTILS_DigestorMotif.html
Version: 3.0.0 Jul 14 2023, 11:57:33, Revision: be787e9
To cite OpenMS:
 + Rost HL, Sachsenberg T, Aiche S, Bielow C et al.. OpenMS: a flexible open-source software platform for 
   mass spectrometry data analysis. Nat Meth. 2016; 13, 9: 741-748. doi:10.1038/nmeth.3959.

Usage:
  DigestorMotif <options>

Options (mandatory options marked with '*'):
  -in <file>*                 FASTA input file (valid formats: 'fasta')
  -out <file>*                Output file (peptides)
                               (valid formats: 'idXML')
  -missed_cleavages <number>  The number of allowed missed cleavages (default: '1') (min: '0')
  -mass_accuracy <number>     Give your mass accuracy in ppb (default: '1000')
  -min_length <number>        Minimum length of peptide (default: '6')
  -out_option <number>        Indicate 1 (peptide table only), 2 (statistics only) or (both peptide table + 
                              statistics) (default: '1')
  -enzyme <cleavage site>     The enzyme used for peptide digestion. (default: 'Trypsin') (valid: 'Asp-N/B', 
                              'Asp-N_ambic', 'Chymotrypsin', 'Chymotrypsin/P', 'CNBr', 'Formic_acid', 'Lys-C'
                              , 'Lys-N', 'Lys-C/P', 'PepsinA', 'TrypChymo', 'Trypsin/P', 'V8-DE', 'V8-E', 
                              'Alpha-lytic protease', 'leukocyte elastase', 'proline endopeptidase', 'glutamy
                              l endopeptidase', '2-iodobenzoate', 'iodosobenzoate', 'staphylococcal protease/
                              D', 'proline-endopeptidase/HKR', 'Glu-C+P', 'PepsinA + P', 'cyanogen-bromide', 
                              'Clostripain/P', 'elastase-trypsin-chymotrypsin', 'Arg-C/P', 'Asp-N', 'Arg-C', 
                              'Trypsin', 'no cleavage', 'unspecific cleavage')
  -motif <string>             The motif for the restricted peptidome (default: 'M')
                              
Common UTIL options:
  -ini <file>                 Use the given TOPP INI file
  -threads <n>                Sets the number of threads allowed to be used by the TOPP tool (default: '1')
  -write_ini <file>           Writes the default configuration file
  --help                      Shows options
  --helphelp                  Shows all options (including advanced)

INI file documentation of this tool:

Legend:

required parameter

advanced parameter

+DigestorMotifdigests a protein database in-silico

version3.0.0 Version of the tool that generated this parameters file.

++1Instance '1' section for 'DigestorMotif'

in FASTA input fileinput file*.fasta

out output file (peptides)
output file*.idXML

missed_cleavages1 the number of allowed missed cleavages0:∞

mass_accuracy1000 give your mass accuracy in ppb

min_length6 minimum length of peptide

out_option1 indicate 1 (peptide table only), 2 (statistics only) or (both peptide table + statistics)

enzymeTrypsin The enzyme used for peptide digestion.Asp-N/B, Asp-N_ambic, Chymotrypsin, Chymotrypsin/P, CNBr, Formic_acid, Lys-C, Lys-N, Lys-C/P, PepsinA, TrypChymo, Trypsin/P, V8-DE, V8-E, Alpha-lytic protease, leukocyte elastase, proline endopeptidase, glutamyl endopeptidase, 2-iodobenzoate, iodosobenzoate, staphylococcal protease/D, proline-endopeptidase/HKR, Glu-C+P, PepsinA + P, cyanogen-bromide, Clostripain/P, elastase-trypsin-chymotrypsin, Asp-N, Arg-C, Trypsin, Arg-C/P, no cleavage, unspecific cleavage

motifM the motif for the restricted peptidome

log Name of log file (created only when specified)

debug0 Sets the debug level

threads1 Sets the number of threads allowed to be used by the TOPP tool

no_progressfalse Disables progress logging to command linetrue, false

forcefalse Overrides tool-specific checkstrue, false

testfalse Enables the test mode (needed for internal use only)true, false