Mercurial > repos > bgruening > natural_product_likeness
comparison natural_product_likeness_calculator.xml @ 3:6052dd3fa475 draft default tip
"planemo upload for repository https://github.com/CS76/NP-Likeness commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
| author | bgruening |
|---|---|
| date | Sat, 25 Sep 2021 19:08:01 +0000 |
| parents | 40d181cc8c19 |
| children |
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| 2:40d181cc8c19 | 3:6052dd3fa475 |
|---|---|
| 1 <tool id="ctb_np-likeness-calculator" name="Natural Product likeness calculator" version="2.1"> | 1 <tool id="ctb_np-likeness-calculator" name="Natural Product likeness calculator" version="@TOOL_VERSION@"> |
| 2 <description>- calculates the similarity of the molecule to the structure space covered by known natural products</description> | 2 <description>- calculates the similarity of the molecule to the structure space covered by known natural products</description> |
| 3 <macros> | |
| 4 <token name="@TOOL_VERSION@">2.1</token> | |
| 5 </macros> | |
| 3 <requirements> | 6 <requirements> |
| 4 <requirement type="package" version="2.1">np-likeness-scorer</requirement> | 7 <requirement type="package" version="@TOOL_VERSION@">np-likeness-scorer</requirement> |
| 5 </requirements> | 8 </requirements> |
| 6 <command detect_errors="aggressive"> | 9 <command detect_errors="aggressive"> |
| 7 <![CDATA[ | 10 <![CDATA[ |
| 8 np-likeness | 11 np-likeness |
| 9 -in '$infile' | 12 -in '$infile' |