Mercurial > repos > bgruening > sdf_to_tab
comparison sdf_to_tab.xml @ 4:55553120df69 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
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date | Tue, 28 Jul 2020 08:43:00 -0400 |
parents | 71bc02c59d3a |
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3:71bc02c59d3a | 4:55553120df69 |
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1 <tool id="sdf_to_tab" name="Extract values from an SD-file" version="@VERSION@.2"> | 1 <tool id="sdf_to_tab" name="Extract values from an SD-file" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> |
2 <macros> | 2 <macros> |
3 <token name="@VERSION@">2019.03.1</token> | 3 <token name="@TOOL_VERSION@">2020.03.4</token> |
4 <token name="@GALAXY_VERSION@">0</token> | |
4 </macros> | 5 </macros> |
5 <description>into a tabular file using RDKit</description> | 6 <description>into a tabular file using RDKit</description> |
6 <requirements> | 7 <requirements> |
7 <requirement type="package" version="@VERSION@">rdkit</requirement> | 8 <requirement type="package" version="@TOOL_VERSION@">rdkit</requirement> |
8 </requirements> | 9 </requirements> |
9 <command detect_errors="exit_code"> | 10 <command detect_errors="exit_code"> |
10 <![CDATA[ | 11 <![CDATA[ |
11 python '$__tool_directory__/sdf_to_tab.py' | 12 python '$__tool_directory__/sdf_to_tab.py' |
12 -i '${infile}' | 13 -i '${infile}' |