Mercurial > repos > tduigou > retropath2
diff retropath2_wrapper.xml @ 10:db0138e42c19 draft
planemo upload commit be50878b7e90467860bbe85aac55ea8e3507d1e5
author | tduigou |
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date | Thu, 20 Apr 2023 08:14:22 +0000 |
parents | 23d2987132ab |
children | 805988211e6c |
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--- a/retropath2_wrapper.xml Tue Apr 18 08:49:20 2023 +0000 +++ b/retropath2_wrapper.xml Thu Apr 20 08:14:22 2023 +0000 @@ -1,8 +1,8 @@ -<tool id="retropath2_wrapper" name="RetroPath2.0" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09"> +<tool id="retropath2_wrapper" name="RetroPath2.0" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09" license="MIT"> <description>Build a reaction network from a set of source compounds to a set of sink compounds</description> <macros> <token name="@VERSION_SUFFIX@">0</token> - <token name="@TOOL_VERSION@">3.0.0</token> + <token name="@TOOL_VERSION@">3.0.1</token> </macros> <requirements> <requirement type="package" version="@TOOL_VERSION@">retropath2_wrapper</requirement> @@ -74,7 +74,7 @@ <param name="source_inchi" value="InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+" /> <output name="Reaction_Network" file="results_retropath2.csv" ftype="csv" compare="diff"/> </test> - </tests> + </tests> <help><![CDATA[ Retropath2.0 wrapper ==================== @@ -107,33 +107,6 @@ ------ * **Reaction Network**\ : CSV file containing retrosynthesis network which provides reactions in the reaction SMILES format and chemicals in both SMILES and InChI formats along with other information like the score for each reaction. - -Project Links ---------------------- - -* `GitHub <https://github.com/brsynth/RetroPath2-wrapper>`_ - -Version ----------- - -2.3.1 - -Authors -------- - -* **Joan Hérisson** -* Melchior du Lac - -License -------- - -This project is licensed under the `MIT <https://github.com/brsynth/RetroPath2-wrapper/blob/master/LICENSE>`_ License. - -Acknowledgments ---------------- - -* Thomas Duigou - ]]></help> <citations> <citation type="doi">10.1016/j.ymben.2017.12.002 </citation>