Mercurial > repos > bgruening > openbabel_spectrophore_search
comparison ob_spectrophore_search.xml @ 13:ad77dd97a949 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
| author | bgruening |
|---|---|
| date | Tue, 28 Jul 2020 11:58:05 +0000 |
| parents | 445ee18e8d4c |
| children | 5b8d2f65f288 |
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| 12:79b9cb9e56a1 | 13:ad77dd97a949 |
|---|---|
| 1 <tool id="openbabel_spectrophore_search" name="Spectrophores search" version="@VERSION@.0"> | 1 <tool id="openbabel_spectrophore_search" name="Spectrophores search" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> |
| 2 <description>- similarity search based on 1D chemical features</description> | 2 <description>- similarity search based on 1D chemical features</description> |
| 3 <macros> | 3 <macros> |
| 4 <import>macros.xml</import> | 4 <import>macros.xml</import> |
| 5 <token name="@GALAXY_VERSION@">0</token> | |
| 5 </macros> | 6 </macros> |
| 6 <expand macro="requirements"> | 7 <expand macro="requirements"> |
| 7 <requirement type="package" version="1.16.2">numpy</requirement> | 8 <requirement type="package" version="1.19.1">numpy</requirement> |
| 8 </expand> | 9 </expand> |
| 9 <command detect_errors="aggressive"> | 10 <command detect_errors="aggressive"> |
| 10 <![CDATA[ | 11 <![CDATA[ |
| 11 python '$__tool_directory__/ob_spectrophore_search.py' | 12 python '$__tool_directory__/ob_spectrophore_search.py' |
| 12 --target '$target' | 13 --target '$target' |