Mercurial > repos > bgruening > sucos_max_score
comparison sucos_max.xml @ 6:55ac04db36aa draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
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date | Tue, 28 Jul 2020 08:47:57 -0400 |
parents | d4c67ced6abc |
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5:d4c67ced6abc | 6:55ac04db36aa |
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1 <tool id="sucos_max_score" name="Max SuCOS score" version="0.2.3"> | 1 <tool id="sucos_max_score" name="Max SuCOS score" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> |
2 <description>- determine maximum SuCOS score of ligands against clustered fragment hits</description> | 2 <description>- determine maximum SuCOS score of ligands against clustered fragment hits</description> |
3 <macros> | 3 <macros> |
4 <import>sucos_macros.xml</import> | 4 <import>sucos_macros.xml</import> |
5 <token name="@GALAXY_VERSION@">0</token> | |
5 </macros> | 6 </macros> |
6 <expand macro="requirements"/> | 7 <expand macro="requirements"/> |
7 <command detect_errors="exit_code"><![CDATA[ | 8 <command detect_errors="exit_code"><![CDATA[ |
8 python '$__tool_directory__/sucos_max.py' | 9 python '$__tool_directory__/sucos_max.py' |
9 -i '$input' | 10 -i '$input' |
52 <param name="filter_value" value="15"/> | 53 <param name="filter_value" value="15"/> |
53 <output name="output" ftype="sdf"> | 54 <output name="output" ftype="sdf"> |
54 <assert_contents> | 55 <assert_contents> |
55 <has_text text="Max_SuCOS_Score" /> | 56 <has_text text="Max_SuCOS_Score" /> |
56 <has_text text="Cum_SuCOS_Score" /> | 57 <has_text text="Cum_SuCOS_Score" /> |
57 <has_n_lines n="686" /> | 58 <has_n_lines n="463" /> |
58 </assert_contents> | 59 </assert_contents> |
59 </output> | 60 </output> |
60 </test> | 61 </test> |
61 </tests> | 62 </tests> |
62 <help><![CDATA[ | 63 <help><![CDATA[ |