NucleicAcidSearchEngine

Annotate nucleic acid identifications to MS/MS spectra.

Web Documentation for NucleicAcidSearchEngine

Options

version
Version of the tool that generated this parameters file.
decharge_ms2
Decharge the MS2 spectra for scoring
log
Name of log file (created only when specified)
debug
Sets the debug level
threads
Sets the number of threads allowed to be used by the TOPP tool
no_progress
Disables progress logging to command line
force
Overrides tool-specific checks
test
Enables the test mode (needed for internal use only)
mass_tolerance
Precursor mass tolerance (+/- around uncharged precursor mass)
mass_tolerance_unit
Unit of precursor mass tolerance
min_charge
Minimum precursor charge to be considered
max_charge
Maximum precursor charge to be considered
include_unknown_charge
Include MS2 spectra with unknown precursor charge - try to match them in any possible charge between 'min_charge' and 'max_charge', at the risk of a higher error rate
use_avg_mass
Use average instead of monoisotopic precursor masses (appropriate for low-resolution instruments)
use_adducts
Consider possible salt adducts (see 'precursor:potential_adducts') when matching precursor masses
potential_adducts
Adducts considered to explain mass differences. Format: 'Element:Charge(+/-)', i.e. the number of '+' or '-' indicates the charge, e.g. 'Ca:++' indicates +2. Only used if 'precursor:use_adducts' is set.
isotopes
Correct for mono-isotopic peak misassignments. E.g.: 1 = precursor may be misassigned to the first isotopic peak. Ignored if 'use_avg_mass' is set.
mass_tolerance
Fragment mass tolerance (+/- around fragment m/z)
mass_tolerance_unit
Unit of fragment mass tolerance
ions
Fragment ions to include in theoretical spectra
variable
Variable modifications
variable_max_per_oligo
Maximum number of residues carrying a variable modification per candidate oligonucleotide
resolve_ambiguities
Attempt to resolve ambiguous modifications (e.g. 'mA?' for 'mA'/'Am') based on a-B ions. This incurs a performance cost because two modifications have to be considered for each case. Requires a-B ions to be enabled in parameter 'fragment:ions'.
min_size
Minimum size an oligonucleotide must have after digestion to be considered in the search
max_size
Maximum size an oligonucleotide must have after digestion to be considered in the search, leave at 0 for no limit
missed_cleavages
Number of missed cleavages
enzyme
The enzyme used for RNA digestion
top_hits
Maximum number of top-scoring hits per spectrum that are reported ('0' for all hits)
decoy_pattern
String used as part of the accession to annotate decoy sequences (e.g. 'DECOY_'). Leave empty to skip the FDR/q-value calculation.
cutoff
Cut-off for FDR filtering; search hits with higher q-values will be removed
remove_decoys
Do not score hits to decoy sequences and remove them when filtering

Input Ports

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Input file: spectra [mzML]
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Input file: sequence database. Required unless 'digest' is set. [fasta,opt.]
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Input file: pre-digested sequence database. Can be used instead of 'database'. Sets all 'oligo:...' parameters. [oms,opt.]

Output Ports

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Output file: mzTab [mzTab]
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Output file: idXML (for visualization in TOPPView) [idXML]
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Output file: oms (SQLite database) [oms]
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Output file: sequence database digest. Ignored if 'digest' input is used. [oms]
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Output file: targets for label-free quantification using FeatureFinderMetaboIdent ('id' input) [tsv]
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Output file: theoretical MS2 spectra for precursor mass matches [mzML]
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Output file: experimental MS2 spectra for precursor mass matches [mzML]

Views

NucleicAcidSearchEngine Std Output
The text sent to standard out during the execution of NucleicAcidSearchEngine.
NucleicAcidSearchEngine Error Output
The text sent to standard error during the execution of NucleicAcidSearchEngine. (If it appears in gray, it's the output of a previously failing run which is preserved for your trouble shooting.)

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Links

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