Mercurial > repos > tduigou > retropath2
changeset 11:5f4a981d6bc3 draft
planemo upload for repository https://github.com/brsynth/retropath2_wrapper commit b7e98c7f0ee70edd536215e3dfe0cd66957e6dae
| author | tduigou |
|---|---|
| date | Mon, 22 Jul 2024 12:08:24 +0000 |
| parents | fe60c5bd7a9d |
| children | da083c323f5c |
| files | retropath2_wrapper.xml |
| diffstat | 1 files changed, 5 insertions(+), 1 deletions(-) [+] |
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--- a/retropath2_wrapper.xml Wed Feb 14 15:26:42 2024 +0000 +++ b/retropath2_wrapper.xml Mon Jul 22 12:08:24 2024 +0000 @@ -2,7 +2,7 @@ <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@">3.1.1</token> + <token name="@TOOL_VERSION@">3.2.0</token> </macros> <requirements> <requirement type="package" version="@TOOL_VERSION@">retropath2_wrapper</requirement> @@ -29,6 +29,9 @@ --dmax '$adv.dmax' --mwmax_source '$adv.mwmax_source' --kinstall "\${TMPDIR:-.}" + #if str($adv.network) == "true": + --no-network + #end if --msc_timeout '$adv.timeout' && if compgen -G 'out/*_scope.csv' > /dev/null; then cp out/*_scope.csv '$Reaction_Network'; @@ -57,6 +60,7 @@ <param name="dmax" type="integer" value="1000" min="0" max="1000" label="Maximum rule diameter" help="Maximum rule diameter of the sphere including the atoms around the reacting center. The higher is the diameter, the more specific are the rules."/> <param name="mwmax_source" type="integer" value="1000" min="0" max="2000" label="Molecular weight of source (Da)" help="The molecular weight cutoff (in Da), above which initial source (ie target) and intermediate compounds will be filtered out." /> <param name="timeout" type="integer" value="60" min="30" max="600" label="Timeout (min)" help="Maximal time of RetroPath2.0 execution (60 minutes by default)." /> + <param name="network" type="boolean" checked="false" label="Do not use network" /> </section> </inputs> <outputs>