Mercurial > repos > chemteam > mdanalysis_hbonds
comparison hbonds.xml @ 4:4c36f5ad2799 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
| author | chemteam |
|---|---|
| date | Mon, 24 Aug 2020 16:53:30 -0400 |
| parents | 5c38e38dbc35 |
| children |
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| 3:5efd0c95f97e | 4:4c36f5ad2799 |
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| 1 <tool id="mdanalysis_hbonds" name="Hydrogen Bond Analysis" version="@VERSION@"> | 1 <tool id="mdanalysis_hbonds" name="Hydrogen Bond Analysis" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> |
| 2 <description>- analyze H-bonds between two segments</description> | 2 <description>- analyze H-bonds between two segments</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="0.25.1">pandas</requirement> | 8 <requirement type="package" version="1.0.5">pandas</requirement> |
| 8 </expand> | 9 </expand> |
| 9 <command detect_errors="exit_code"> | 10 <command detect_errors="exit_code"> |
| 10 <![CDATA[ | 11 <![CDATA[ |
| 11 python '$__tool_directory__/hbonds.py' | 12 python '$__tool_directory__/hbonds.py' |
| 12 --itraj '$trajin' | 13 --itraj '$trajin' |