Mercurial > repos > bgruening > openbabel_spectrophore_search

comparison ob_spectrophore_search.xml @ 12:afd14e10a318 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:35:45 -0400
parents f93f3e01abe8
children f5d7ffbb2d33
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11:d92ada24e4ad 12:afd14e10a318
1 <tool id="openbabel_spectrophore_search" name="Spectrophores search" version="@VERSION@.0"> 1 <tool id="openbabel_spectrophore_search" name="Spectrophores search" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>- similarity search based on 1D chemical features</description> 2 <description>- similarity search based on 1D chemical features</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="1.16.2">numpy</requirement> 8 <requirement type="package" version="1.19.1">numpy</requirement>
8 </expand> 9 </expand>
9 <command detect_errors="aggressive"> 10 <command detect_errors="aggressive">
10 <![CDATA[ 11 <![CDATA[
11 python '$__tool_directory__/ob_spectrophore_search.py' 12 python '$__tool_directory__/ob_spectrophore_search.py'
12 --target '$target' 13 --target '$target'