Mercurial > repos > tduigou > rp2biosensor
diff rp2biosensor.xml @ 4:669957e0f6d0 draft
planemo upload for repository https://github.com/brsynth/rp2biosensor commit eadd9bb9edbc70361b9e8d7900e6743b37142ee3
| author | tduigou |
|---|---|
| date | Mon, 24 Apr 2023 13:30:07 +0000 |
| parents | bd4fe7af0157 |
| children | a9033f7f4894 |
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--- a/rp2biosensor.xml Fri Mar 25 12:57:08 2022 +0000 +++ b/rp2biosensor.xml Mon Apr 24 13:30:07 2023 +0000 @@ -1,6 +1,7 @@ -<tool id="rp2biosensor" name="rp2biosensor" version="@TOOL_VERSION@" profile="19.09"> +<tool id="rp2biosensor" name="rp2biosensor" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09"> <description>Build Sensing-Enabling Metabolic Pathways from RetroPath2.0 output</description> <macros> + <token name="@VERSION_SUFFIX@">0</token> <token name="@TOOL_VERSION@">3.1.0</token> </macros> <requirements> @@ -16,7 +17,7 @@ #end if ]]></command> <inputs> - <param name="rp2_results" type="data" format="csv" label="RetroPath2 output"/> + <param name="rp2_results" type="data" format="csv" label="RetroPath2 output" help="Retrosynthesis network generated by RetroPath2.0 in CSV format."/> <param name="sink_file" type="data" format="csv" label="Sink file used for RetroPath2.0"/> <section name="adv" title="Advanced Options" expanded="false"> <param name="json_graph" type="boolean" label="Output Graph in JSON?" checked="false" /> @@ -30,54 +31,56 @@ </outputs> <tests> <test> - <!-- test 1: check if identical outputs are produced --> - <param name="rp2_results" value="rp2-results-lactate.csv" /> - <param name="sink_file" value="sink-h2o2.csv" /> - <output name="html_file" md5="88ba7cd2501c4d671b9eac396e7b4af9"/> + <!-- test 1: check if identical outputs are produced --> + <param name="rp2_results" value="rp2-results-lactate.csv" /> + <param name="sink_file" value="sink-h2o2.csv" /> + <output name="html_file" > + <assert_contents> + <has_line_matching expression='^((?!"svg": "data:image).)*$' /> + </assert_contents> + </output> </test> </tests> <help><![CDATA[ rp2biosensor ================ -Generate HTML outputs to explore Sensing Enabling Metabolic Pathway from RetroPath2 results. +**rp2biosensor** is an open-source Python software that extracts from the retrosynthetic network generated by `RetroPath2.0 <https://www.sciencedirect.com/science/article/pii/S1096717617301337>`_ the subnetwork of interest, linking the biosensor to the compound to be detected, and produce an interactive web page showing the transducing reactions. + +Briefly, rp2biosensor parses the retrosynthesis network outputted by RetroPath2.0, completes the predicted reactions by putting back co-substrates and co-products omitted during the retrosynthesis using the `rxn_rebuild <https://www.sciencedirect.com/science/article/pii/S1096717617301337>`_ Python package, enumerates the shortest path linking the compound of interest, i.e. the biosensor, to the compound to be detected, e.g. lactate, and finally outputs the resulting subnetwork as an interactive web page to let the user browse the results. Input ----- Required: -* **rp2_results**\ : (string) RetroPath2.0 results. -* **sink_file**\ : (string) Sink file used for RetroPath2.0. +* **RetroPath2 output**\ : Retrosynthesis network generated by RetroPath2.0 in CSV format. +* **Sink file**\ : (string) Sink file used for RetroPath2.0. Output ------ -* **opath**\ : (string) Output path. Default: biosensor.html. +* **HTML file**\ : interactive web page showing the transducing reactions. -* **otype**\ : (string) Output type. This could be either (i) "dir" which means ouput files will outputted into this directory, or (ii) "file" which means that all files will be embedded into a single HTML page. Default: file. +Optional: -* **ojson**\ : (string) Output the graph as json file if the path is not None. Default: None +* **JSON file**\ : Output the graph as JSON file. Project Links ------------------ * `GitHub <https://github.com/brsynth/rp2biosensor>`_ -Version ----------- - -3.1.0 - -Authors -------- - -* **Thomas Duigou** - License ------- * `MIT <https://github.com/brsynth/rp2biosensor/blob/master/LICENSE.md>`_ ]]></help> + <creator> + <person givenName="Thomas" familyName="Duigou" email="thomas.duigou@inrae.fr" identifier="https://orcid.org/0000-0002-2649-2950" /> + </creator> + <citations> + <citation type="doi">10.1021/acssynbio.2c00138</citation> + </citations> </tool> \ No newline at end of file
