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comparison ConsensusID.xml @ 4:6ead64a594bd draft default tip

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
author bgruening
date Wed, 27 Jan 2016 10:06:49 -0500
parents 3d84209d3178
children
comparison
equal deleted inserted replaced
3:ec62782f6c68 4:6ead64a594bd
1 <?xml version='1.0' encoding='UTF-8'?> 1 <?xml version="1.0" encoding="UTF-8"?>
2 <tool id="ConsensusID" name="ConsensusID" version="1.12.0"> 2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
3 <description>Computes a consensus identification from peptide identifications of several identification engines.</description> 3 <!--Proposed Tool Section: [ID Processing]-->
4 <macros> 4 <tool id="ConsensusID" name="ConsensusID" version="2.0.0">
5 <token name="@EXECUTABLE@">ConsensusID</token> 5 <description>Computes a consensus of peptide identifications of several identification engines.</description>
6 <import>macros.xml</import> 6 <macros>
7 </macros> 7 <token name="@EXECUTABLE@">ConsensusID</token>
8 <expand macro="stdio"/> 8 <import>macros.xml</import>
9 <expand macro="requirements"/> 9 </macros>
10 <command>ConsensusID 10 <expand macro="references"/>
11 <expand macro="stdio"/>
12 <expand macro="requirements"/>
13 <command>ConsensusID
11 14
12 -in ${param_in} 15 #if $param_in:
13 -out ${param_out} 16 -in $param_in
14 -rt_delta ${param_rt_delta} 17 #end if
15 -mz_delta ${param_mz_delta} 18 #if $param_out:
16 -min_length ${param_min_length} 19 -out $param_out
17 ${param_use_all_hits} 20 #end if
18 -threads \${GALAXY_SLOTS:-24} 21 #if $param_rt_delta:
19 -algorithm:algorithm ${param_algorithm} 22 -rt_delta $param_rt_delta
20 -algorithm:considered_hits ${param_considered_hits} 23 #end if
21 -algorithm:number_of_runs ${param_number_of_runs} 24 #if $param_mz_delta:
22 -algorithm:PEPIons:MinNumberOfFragments ${param_MinNumberOfFragments} 25 -mz_delta $param_mz_delta
23 -algorithm:PEPIons:common ${param_common} 26 #end if
24 -algorithm:PEPMatrix:common ${param_common} 27 #if $param_algorithm:
25 -algorithm:PEPMatrix:penalty ${param_penalty} 28 -algorithm
29 #if &quot; &quot; in str($param_algorithm):
30 &quot;$param_algorithm&quot;
31 #else
32 $param_algorithm
33 #end if
34 #end if
35 -threads \${GALAXY_SLOTS:-24}
36 #if $param_filter_considered_hits:
37 -filter:considered_hits $param_filter_considered_hits
38 #end if
39 #if $param_filter_min_support:
40 -filter:min_support $param_filter_min_support
41 #end if
42 #if $param_filter_count_empty:
43 -filter:count_empty
44 #end if
45 #if $param_PEPIons_mass_tolerance:
46 -PEPIons:mass_tolerance $param_PEPIons_mass_tolerance
47 #end if
48 #if $param_PEPIons_min_shared:
49 -PEPIons:min_shared $param_PEPIons_min_shared
50 #end if
51 #if $param_PEPMatrix_matrix:
52 -PEPMatrix:matrix
53 #if &quot; &quot; in str($param_PEPMatrix_matrix):
54 &quot;$param_PEPMatrix_matrix&quot;
55 #else
56 $param_PEPMatrix_matrix
57 #end if
58 #end if
59 #if $param_PEPMatrix_penalty:
60 -PEPMatrix:penalty $param_PEPMatrix_penalty
61 #end if
62 #if $adv_opts.adv_opts_selector=='advanced':
63 #if $adv_opts.param_force:
64 -force
65 #end if
66 #end if
26 </command> 67 </command>
27 <inputs> 68 <inputs>
28 <param name="param_in" type="data" format="idXML,featureXML,consensusXML" optional="False" label="input file" help="(-in)"/> 69 <param format="xml,consensusxml" help="(-in) " label="input file" name="param_in" optional="False" type="data"/>
29 <param name="param_rt_delta" type="float" min="0.0" optional="True" value="0.1" label="Maximum allowed precursor RT deviation between identifications." help="(-rt_delta)"/> 70 <param help="(-rt_delta) " label="[idXML input only] Maximum allowed retention time deviation between identifications belonging to the same spectrum" min="0.0" name="param_rt_delta" optional="True" type="float" value="0.1"/>
30 <param name="param_mz_delta" type="float" min="0.0" optional="True" value="0.1" label="Maximum allowed precursor m/z deviation between identifications." help="(-mz_delta)"/> 71 <param help="(-mz_delta) " label="[idXML input only] Maximum allowed precursor m/z deviation between identifications belonging to the same spectrum" min="0.0" name="param_mz_delta" optional="True" type="float" value="0.1"/>
31 <param name="param_min_length" type="integer" min="1" optional="True" value="6" label="Minimum of length of peptides for final consensus list" help="(-min_length)"/> 72 <param help="(-algorithm) &lt;br&gt;* PEPMatrix: Scoring based on posterior error probabilities (PEPs) and peptide sequence similarities (scored by a substitution matrix). Requires PEPs as scores. &lt;br&gt;* PEPIons: Scoring based on posterior error probabilities (PEPs) and fragment ion similarities ('shared peak count'). Requires PEPs as scores. &lt;br&gt;* best: For each peptide ID, use the best score of any search engine as the consensus score. Requires the same score type in all ID runs. &lt;br&gt;* worst: For each peptide ID, use the worst score of any search engine as the consensus score. Requires the same score type in all ID runs. &lt;br&gt;* average: For each peptide ID, use the average score of all search engines as the consensus. Requires the same score type in all ID runs. &lt;br&gt;* ranks: Calculates a consensus score based on the ranks of peptide IDs in the results of different search engines. The final score is in the range (0, 1], with 1 being the best score. No requirements about score types" label="Algorithm used for consensus scoring" name="param_algorithm" optional="True" type="select" value="PEPMatrix">
32 <param name="param_use_all_hits" type="boolean" truevalue="-use_all_hits true" falsevalue="-use_all_hits false" checked="false" optional="True" label="If 'true' not only the first hit, but all are used (peptides only)" help="(-use_all_hits)"/> 73 <option value="PEPMatrix">PEPMatrix</option>
33 <param name="param_algorithm" type="select" optional="True" value="PEPMatrix" label="Algorithm used for the consensus scoring.#br#ranked -- reorders the hits according to a consensus score computed from the ranks in the input runs. The score is normalized to the interval (0,100). The PeptideIdentifications do not need to have the same score type.#br#average -- reorders the hits according to the average score of the input runs. Make sure to use PeptideIdentifications with the same score type only!#br#PEPMatrix -- calculates a consensus score based on posterior error probabilities and scoring matrices for siimilarity. This algorithm uses the PAM30MS matrix to score sequences not listed by all engines. Make sure to use PeptideIdentifications with score types converted to PEPs only!#br#PEPIons -- calculates a consensus score based on posterior error probabilities and fragment ion siimilarity. Make sure to use PeptideIdentifications with score types converted to PEPs only!#br#Minimum -- calculates a consensus score based on the minimal score. Make sure to use PeptideIdentifications with score types converted to PEPs only!#br#" help="(-algorithm)"> 74 <option value="PEPIons">PEPIons</option>
34 <option value="ranked">ranked</option> 75 <option value="best">best</option>
35 <option value="average">average</option> 76 <option value="worst">worst</option>
36 <option value="PEPMatrix">PEPMatrix</option> 77 <option value="average">average</option>
37 <option value="PEPIons">PEPIons</option> 78 <option value="ranks">ranks</option>
38 <option value="Minimum">Minimum</option> 79 </param>
39 </param> 80 <param help="(-considered_hits) " label="The number of top hits in each ID run that are considered for consensus scoring ('0' for all hits)" min="0" name="param_filter_considered_hits" optional="True" type="integer" value="0"/>
40 <param name="param_considered_hits" type="integer" min="1" optional="True" value="10" label="The number of top hits that are used for the consensus scoring." help="(-considered_hits)"/> 81 <param help="(-min_support) " label="For each peptide hit from an ID run, the fraction of other ID runs that must support that hit (otherwise it is removed)" max="1.0" min="0.0" name="param_filter_min_support" optional="True" type="float" value="0.0"/>
41 <param name="param_number_of_runs" type="integer" min="0" optional="True" value="0" label="The number of runs used as input. This information is used in 'Ranked' and 'Average' to compute the new scores. If not given, the number of input identifications is taken." help="(-number_of_runs)"/> 82 <param checked="false" falsevalue="" help="(-count_empty) those containing no peptide hit for the current spectrum) when calculating 'min_support'?" label="Count empty ID runs (i.e" name="param_filter_count_empty" optional="True" truevalue="-filter:count_empty" type="boolean"/>
42 <param name="param_MinNumberOfFragments" type="integer" min="0" optional="True" value="2" label="The minimal number of similar (between two suggested sequences) fragment ion masses that is necessary to evaluate the shared peak count similarity (SPC)." help="(-MinNumberOfFragments)"/> 83 <param help="(-mass_tolerance) " label="Maximum difference between fragment masses (in Da) for fragments to be considered 'shared' between peptides" min="0.0" name="param_PEPIons_mass_tolerance" optional="True" type="float" value="0.5"/>
43 <param name="param_common" type="float" min="0.0" max="1.1" optional="True" value="1.1" label="Similarity threshold to accept the best score. E.g. for a given spectrum: engine 1 -&gt; pep 1 with score x1 and engine2 -&gt; pep2 with score x2. The better score from {x1,x2} will be used if the degree of similarity between pep1 and pep2 &gt;= common, Note that 0 &lt;= degree of similarity &lt;= 1. Values &gt; 1 will disable this option." help="(-common)"/> 84 <param help="(-min_shared) " label="The minimal number of 'shared' fragments (between two suggested peptides) that is necessary to evaluate the similarity based on shared peak count (SPC)" min="1" name="param_PEPIons_min_shared" optional="True" type="integer" value="2"/>
44 <param name="param_common" type="float" min="0.0" max="1.1" optional="True" value="1.1" label="Similarity threshold to accept the best score. E.g. for a given spectrum: engine 1 -&gt; pep 1 with score x1 and engine2 -&gt; pep2 with score x2. The better score from {x1,x2} will be used if the degree of similarity between pep1 and pep2 &gt;= common, Note that 0 &lt;= degree of similarity &lt;= 1. Values &gt; 1 will disable this option." help="(-common)"/> 85 <param help="(-matrix) " label="Substitution matrix to use for alignment-based similarity scoring" name="param_PEPMatrix_matrix" optional="True" type="select" value="identity">
45 <param name="param_penalty" type="integer" value="5" label="Give the gap penalty (the same penalty will be used for opening and extension) as a positive integer" help="(-penalty)"/> 86 <option value="identity">identity</option>
46 </inputs> 87 <option value="PAM30MS">PAM30MS</option>
47 <outputs> 88 </param>
48 <data name="param_out" label="output file" format="consensusXML"> 89 <param help="(-penalty) " label="Alignment gap penalty (the same value is used for gap opening and extension)" min="1" name="param_PEPMatrix_penalty" optional="True" type="integer" value="5"/>
49 <change_format> 90 <expand macro="advanced_options">
50 <when input="param_out_type" value="idXML" format="idXML"/> 91 <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/>
51 <when input="param_out_type" value="featureXML" format="featureXML"/> 92 </expand>
52 </change_format> 93 </inputs>
53 </data> 94 <outputs>
54 </outputs> 95 <data format="input" metadata_source="param_in" name="param_out"/>
55 <help>**What it does** 96 </outputs>
56 97 <help>Computes a consensus of peptide identifications of several identification engines.
57 Computes a consensus identification from peptide identifications of several identification engines.
58 98
59 99
60 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_ConsensusID.html 100 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_ConsensusID.html</help>
61 101 </tool>
62 @REFERENCES@
63 </help>
64 </tool>