Mercurial > repos > bgruening > confab
comparison confab.xml @ 6:461f64330945 draft default tip
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/confab commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
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date | Tue, 28 Jul 2020 08:22:51 -0400 |
parents | 119b462f0f69 |
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5:119b462f0f69 | 6:461f64330945 |
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1 <tool id="ctb_confab" name="Conformer calculation" version="0.4"> | 1 <tool id="ctb_confab" name="Conformer calculation" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> |
2 <description>for molecules (confab)</description> | 2 <macros> |
3 <token name="@TOOL_VERSION@">3.1.1</token> | |
4 <token name="@GALAXY_VERSION@">0</token> | |
5 </macros> | |
6 <description>for molecules (confab) with OpenBabel</description> | |
3 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="100" shared_inputs="" merge_outputs="outfile"></parallelism--> | 7 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="100" shared_inputs="" merge_outputs="outfile"></parallelism--> |
4 <requirements> | 8 <requirements> |
5 <requirement type="package" version="2.4.1">openbabel</requirement> | 9 <requirement type="package" version="@TOOL_VERSION@">openbabel</requirement> |
6 </requirements> | 10 </requirements> |
7 <command detect_errors="aggressive"> | 11 <command detect_errors="aggressive"> |
8 <![CDATA[ | 12 <![CDATA[ |
9 | 13 |
10 obabel | 14 obabel |