annotate selenzy_wrapper.xml @ 3:be121e7d0c9d draft default tip

planemo upload for repository https://github.com/brsynth/selenzy-wrapper commit 45a7c182f39c67507b05e39509b865a04ecdd1f9
author tduigou
date Tue, 23 May 2023 14:17:15 +0000
parents 164ccfcd18ec
children
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164ccfcd18ec planemo upload for repository https://github.com/brsynth/selenzy-wrapper commit 2e8aa2e7c0581c7eed2074d15f7e4317ecde2ad6
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1 <tool id="selenzy-wrapper" name="Selenzyme" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09">
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2 <description>Performs enzyme selection from a reaction query</description>
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3 <macros>
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4 <token name="@VERSION_SUFFIX@">0</token>
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5 <token name="@TOOL_VERSION@">0.3.0</token>
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6 </macros>
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7 <requirements>
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8 <requirement type="package" version="@TOOL_VERSION@">selenzy_wrapper</requirement>
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9 </requirements>
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10 <command detect_errors="exit_code"><![CDATA[
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11 python -m selenzy_wrapper '$pathway' '$uniprot_ids'
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12 --nb_targets '$adv.nb_targets'
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13 --d '$adv.direction'
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14 $adv.NoMSA
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15 #if str($host_taxID_type_conditional.host_taxID_type) == "tsv":
be121e7d0c9d planemo upload for repository https://github.com/brsynth/selenzy-wrapper commit 45a7c182f39c67507b05e39509b865a04ecdd1f9
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16 --host_taxID `sed 1d ${host_taxID_type_conditional.host_taxID_file}`
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17 #else:
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18 --host_taxID '$host_taxID_type_conditional.host_taxID_int'
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19 #end if
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20 #if str($adv.enzyme_taxIDs) != "":
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21 --enzyme_taxIDs '$adv.enzyme_taxIDs'
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22 #end if
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23 --nb_ids '$adv.nb_ids'
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24 --to_csv '$uniprot_ids_csv'
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25 --data-path "\${TMPDIR:-.}"
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26 ]]></command>
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27 <inputs>
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28 <param name="pathway" type="data" format="sbml" label="Pathway (SBML)" />
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29 <conditional name="host_taxID_type_conditional">
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30 <param name="host_taxID_type" type="select" label="Host taxon ID type">
be121e7d0c9d planemo upload for repository https://github.com/brsynth/selenzy-wrapper commit 45a7c182f39c67507b05e39509b865a04ecdd1f9
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31 <option value="integer" selected="True">Value</option>
be121e7d0c9d planemo upload for repository https://github.com/brsynth/selenzy-wrapper commit 45a7c182f39c67507b05e39509b865a04ecdd1f9
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32 <option value="tsv">File</option>
be121e7d0c9d planemo upload for repository https://github.com/brsynth/selenzy-wrapper commit 45a7c182f39c67507b05e39509b865a04ecdd1f9
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33 </param>
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34 <when value="integer">
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35 <param name="host_taxID_int" type="integer" label="Host taxon ID value" value="83333" help="default: 83333 [E. coli K12]" />
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36 </when>
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37 <when value="tsv">
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38 <param name="host_taxID_file" type="data" format="tsv" label="Host taxon ID file" />
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39 </when>
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40 </conditional>
2
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41 <section name="adv" title="Advanced Options" expanded="false">
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42 <param name="enzyme_taxIDs" type="text" value="" label="Comma separated taxon IDs of output enzyme sequences" />
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43 <param name="nb_ids" type="integer" value="-1" label="Number of uniprot IDs with top score to keep" help=" Number of enzyme IDs to display in results (after taxon IDs filtering) [default = -1 (no limit)]" />
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44 <param name="nb_targets" type="integer" value="500" min="1" label="Number of targets to display in results" help="Number of targets to display in results (before taxon IDs filtering) [default = 500]" />
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45 <param name="direction" type="float" value="0" label="Use similarity values for preferred reaction direction only" help="You can choose to rank similarities in both reaction directions or to use only the direction of the reaction based on a consensus list that has been generated according to reaction information based on curated information from MetaCyc (Metabolic Pathway Database) [default=0 (OFF)]" />
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46 <param argument="--NoMSA" type="boolean" falsevalue="--NoMSA" truevalue="" checked="true" display="checkboxes" label="Do not compute MSA/conservation scores ?" help="Do not compute Multiple Sequence Alignment and conservation scores ? (MSA scores are computed by default)" />
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47 </section>
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48 </inputs>
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49 <outputs>
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50 <data name="uniprot_ids" format="sbml" label="Uniprot IDs (SBML)" />
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51 <data name="uniprot_ids_csv" format="csv" label="Uniprot IDs (CSV)" />
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52 </outputs>
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53 <tests>
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54 <test>
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55 <!-- test 1: check if identical outputs are produced with default parameters -->
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56 <param name="pathway" value="pathway.xml" />
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57 <output name="uniprot_ids" file="uniprod_ids_out.xml" compare="diff" sort="true"/>
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58 <output name="uniprot_ids_csv" file="uniprod_ids_out.csv" ftype="csv" compare="diff"/>
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59 </test>
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60 </tests>
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61 <help><![CDATA[
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62 Selenzyme
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63 ================
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65 Selenzyme searches for enzymes corresponding to each reaction of the pathway. It performs a reaction similarity search in the reference reaction database `MetaNetX <https://www.metanetx.org/>`_ and outputs an updated SBML file annotated with the enzyme UniProt IDs, as well as in CSV format.
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66
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67 Input
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68 -----
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70 * **Pathway (SBML)**\ : SBML pathway file
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71 * **Number of targets to display in results**\ : (integer) Number of targets to display in results (before taxon IDs filtering) [default = 500]
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72 * **Number of uniprot IDs with top score to keep**\ : (integer) Number of enzyme IDs to display in results (after taxon IDs filtering) [default = -1 (no limit)]
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73 * **Use similarity values for preferred reaction direction only**\ : (float) Use similarity values for preferred reaction direction only [default=0 (OFF)]
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74 * **Do not compute MSA/conservation scores ?**\ : (boolean) Do not compute Multiple Sequence Alignment and conservation scores ? (MSA scores are computed by default)
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75 * **Host taxon ID**\ : (string) Taxon ID of the chassis (default: 83333 [E. coli K12])
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76 * **Comma separated taxon IDs of output enzyme sequences**\ : (string) Comma separated taxon IDs of output enzyme sequences
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77
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78 Output
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79 ------
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80
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81 * **Uniprot IDs (SBML)**\ : Annotated SBML pathway.
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82 * **Uniprot IDs (CSV)**\ : Annotated CSV pathway.
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83
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84 Project Links
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85 ------------------
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86
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87 * `GitHub <https://github.com/brsynth/selenzy-wrapper>`_
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88
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89 Version
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90 ----------
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91
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92 0.3.0
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93
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94 Authors
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95 -------
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96 * **Joan Hérisson**
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97
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98 License
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99 -------
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100
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101 * `MIT <https://github.com/brsynth/selenzy-wrapper/blob/master/LICENSE>`_
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102
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103 Acknowledgments
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104 ---------------
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105
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106 * Thomas Duigou
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107
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108 ]]></help>
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109 <citations>
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110 <citation type="doi">10.1093/bioinformatics/bty065</citation>
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111 </citations>
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112 </tool>