annotate OpenSwathDecoyGenerator.xml @ 4:6ead64a594bd draft default tip

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author bgruening
date Wed, 27 Jan 2016 10:06:49 -0500
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1 <?xml version="1.0" encoding="UTF-8"?>
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2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
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3 <!--Proposed Tool Section: [Targeted Experiments]-->
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4 <tool id="OpenSwathDecoyGenerator" name="OpenSwathDecoyGenerator" version="2.0.0">
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5 <description>Generates decoys according to different models for a specific TraML</description>
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6 <macros>
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7 <token name="@EXECUTABLE@">OpenSwathDecoyGenerator</token>
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8 <import>macros.xml</import>
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9 </macros>
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10 <expand macro="references"/>
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11 <expand macro="stdio"/>
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12 <expand macro="requirements"/>
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13 <command>OpenSwathDecoyGenerator
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14
4
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15 #if $param_in:
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16 -in $param_in
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17 #end if
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18 #if $param_out:
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19 -out $param_out
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20 #end if
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21 #if $param_method:
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22 -method &quot;$param_method&quot;
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23 #end if
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24 #if $param_decoy_tag:
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25 -decoy_tag &quot;$param_decoy_tag&quot;
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26 #end if
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27 #if $param_theoretical:
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28 -theoretical
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29 #end if
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30 #if $param_mz_threshold:
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31 -mz_threshold $param_mz_threshold
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32 #end if
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33 #if $param_exclude_similar:
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34 -exclude_similar
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35 #end if
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36 #if $param_similarity_threshold:
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37 -similarity_threshold $param_similarity_threshold
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38 #end if
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39 #if $param_append:
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40 -append
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41 #end if
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42 #if $param_remove_CNterm_mods:
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43 -remove_CNterm_mods
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44 #end if
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45 #if $param_remove_unannotated:
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46 -remove_unannotated
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47 #end if
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48 #if $param_enable_losses:
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49 -enable_losses
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50 #end if
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51 #if $param_identity_threshold:
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52 -identity_threshold $param_identity_threshold
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53 #end if
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54 #if $param_max_attempts:
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55 -max_attempts $param_max_attempts
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56 #end if
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57 #if $param_mz_shift:
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58 -mz_shift $param_mz_shift
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59 #end if
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60 #if $param_precursor_mass_shift:
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61 -precursor_mass_shift $param_precursor_mass_shift
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62 #end if
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63 -threads \${GALAXY_SLOTS:-24}
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64 #if $adv_opts.adv_opts_selector=='advanced':
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65 #if $adv_opts.param_force:
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66 -force
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67 #end if
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68 #end if
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69 </command>
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70 <inputs>
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71 <param format="traml" help="(-in) " label="input file ('traML')" name="param_in" optional="False" type="data"/>
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72 <param help="(-method) " label="decoy generation method ('shuffle','pseudo-reverse','reverse','shift')" name="param_method" size="30" type="text" value="shuffle">
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73 <sanitizer>
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74 <valid initial="string.printable">
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75 <remove value="'"/>
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76 <remove value="&quot;"/>
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77 </valid>
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78 </sanitizer>
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79 </param>
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80 <param help="(-decoy_tag) " label="decoy tag" name="param_decoy_tag" size="30" type="text" value="DECOY_">
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81 <sanitizer>
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82 <valid initial="string.printable">
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83 <remove value="'"/>
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84 <remove value="&quot;"/>
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85 </valid>
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86 </sanitizer>
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87 </param>
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88 <param checked="false" falsevalue="" help="(-theoretical) " label="set this flag if only annotated transitions should be used and be corrected to the theoretical mz" name="param_theoretical" optional="True" truevalue="-theoretical" type="boolean"/>
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89 <param help="(-mz_threshold) " label="MZ threshold in Thomson for fragment ion annotation" name="param_mz_threshold" type="float" value="0.05"/>
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90 <param checked="false" falsevalue="" help="(-exclude_similar) If similarity_threshold is over 0, decoy assays with an absolute difference of the decoy and target product mz smaller than similarity_threshold are further excluded" label="set this flag if decoy assays with similarity of the peptide sequence to the target assays higher than the identity_threshold should be excluded" name="param_exclude_similar" optional="True" truevalue="-exclude_similar" type="boolean"/>
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91 <param help="(-similarity_threshold) Suggested value: 0.05" label="Similarity threshold for absolute difference of the product mz of target and decoy assays for exclusion in Dalton" name="param_similarity_threshold" type="float" value="-1.0"/>
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92 <param checked="false" falsevalue="" help="(-append) " label="set this flag if non-decoy TraML should be appended to the output" name="param_append" optional="True" truevalue="-append" type="boolean"/>
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93 <param checked="false" falsevalue="" help="(-remove_CNterm_mods) " label="set this flag to remove decoy peptides with C/N terminal modifications (may be necessary depending on the decoy generation method)" name="param_remove_CNterm_mods" optional="True" truevalue="-remove_CNterm_mods" type="boolean"/>
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94 <param checked="false" falsevalue="" help="(-remove_unannotated) " label="set this flag if target assays with unannotated ions should be ignored from decoy generation" name="param_remove_unannotated" optional="True" truevalue="-remove_unannotated" type="boolean"/>
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95 <param checked="false" falsevalue="" help="(-enable_losses) " label="set this flag if fragment ions should also be annotated with neutral losses" name="param_enable_losses" optional="True" truevalue="-enable_losses" type="boolean"/>
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96 <param help="(-identity_threshold) " label="shuffle: identity threshold for the shuffle algorithm" name="param_identity_threshold" type="float" value="0.7"/>
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97 <param help="(-max_attempts) " label="shuffle: maximum attempts to lower the sequence identity between target and decoy for the shuffle algorithm" name="param_max_attempts" type="integer" value="10"/>
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98 <param help="(-mz_shift) " label="shift: MZ shift in Thomson for shift decoy method" name="param_mz_shift" type="float" value="20.0"/>
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99 <param help="(-precursor_mass_shift) " label="Mass shift to apply to the precursor ion" name="param_precursor_mass_shift" type="float" value="0.0"/>
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100 <expand macro="advanced_options">
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101 <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/>
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102 </expand>
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103 </inputs>
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104 <outputs>
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105 <data format="traml" name="param_out"/>
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106 </outputs>
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107 <help>Generates decoys according to different models for a specific TraML
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108
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109
4
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110 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_OpenSwathDecoyGenerator.html</help>
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111 </tool>