Mercurial > repos > bgruening > chemfp
comparison butina_clustering.xml @ 12:3b14765c22ee draft default tip
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
| author | bgruening |
|---|---|
| date | Sat, 25 Sep 2021 19:07:44 +0000 |
| parents | 92c7cdc243e8 |
| children |
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| 11:92c7cdc243e8 | 12:3b14765c22ee |
|---|---|
| 1 <tool id="ctb_chemfp_butina_clustering" name="Taylor-Butina clustering" version="1.6"> | 1 <tool id="ctb_chemfp_butina_clustering" name="Taylor-Butina clustering" version="@TOOL_VERSION@+@VERSION_SUFFIX@"> |
| 2 <description>of molecular fingerprints</description> | 2 <description>of molecular fingerprints</description> |
| 3 <macros> | |
| 4 <token name="@TOOL_VERSION@">1.6.1</token> | |
| 5 <token name="@VERSION_SUFFIX@">0</token> | |
| 6 </macros> | |
| 3 <requirements> | 7 <requirements> |
| 4 <requirement type="package" version="1.6">chemfp</requirement> | 8 <requirement type="package" version="@TOOL_VERSION@">chemfp</requirement> |
| 5 </requirements> | 9 </requirements> |
| 6 <command detect_errors="exit_code"> | 10 <command detect_errors="exit_code"> |
| 7 <![CDATA[ | 11 <![CDATA[ |
| 8 python '$__tool_directory__/butina_clustering.py' | 12 python '$__tool_directory__/butina_clustering.py' |
| 9 -i '$infile' | 13 -i '$infile' |