Mercurial > repos > bgruening > sucos_docking_scoring

comparison sucos.xml @ 5:fe318c648502 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:48:35 -0400
parents 2e67eea82ff7
children 4f1896782f7c
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4:a574f6e8b909 5:fe318c648502
1 <tool id="sucos_docking_scoring" name="Score docked poses using SuCOS" version="0.1.1"> 1 <tool id="sucos_docking_scoring" name="Score docked poses using SuCOS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>- compare shape and feature overlap of docked ligand poses to a reference molecule</description> 2 <description>- compare shape and feature overlap of docked ligand poses to a reference molecule</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 '$__tool_directory__/sucos.py' 9 python '$__tool_directory__/sucos.py'
9 -i '$input' 10 -i '$input'