comparison sucos.xml @ 1:2e67eea82ff7 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 6fa2a0294d615c9f267b766337dca0b2d3637219"
author bgruening
date Fri, 11 Oct 2019 18:26:43 -0400
parents f8f53668d5a2
children fe318c648502
comparison
equal deleted inserted replaced
0:f8f53668d5a2 1:2e67eea82ff7
1 <tool id="sucos_docking_scoring" name="Score docked poses using SuCOS" version="0.1"> 1 <tool id="sucos_docking_scoring" name="Score docked poses using SuCOS" version="0.1.1">
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 </macros> 5 </macros>
6 <expand macro="requirements"/> 6 <expand macro="requirements"/>
7 <command detect_errors="aggressive"><![CDATA[ 7 <command detect_errors="exit_code"><![CDATA[
8 python '$__tool_directory__/sucos.py' 8 python '$__tool_directory__/sucos.py'
9 -i '$input' 9 -i '$input'
10 -r '$refmol' 10 -r '$refmol'
11 -o '$output' 11 -o '$output'
12 --refmol-format mol 12 --refmol-format mol