Mercurial > repos > bgruening > get_pubchem

comparison get_pubchem_as_smiles.xml @ 1:4d966d5bdd17 draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/data_source/get_pubchem commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:27:00 -0400
parents cd19c3fab3a6
children
comparison
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0:cd19c3fab3a6 1:4d966d5bdd17
1 <tool id="ctb_pubchem_download_as_smiles" name="PubChem Download" version="0.2" > 1 <tool id="ctb_pubchem_download_as_smiles" name="PubChem Download" version="0.3" >
2 <description>as canonical SMILES</description> 2 <description>as canonical SMILES</description>
3 <requirements> 3 <requirements>
4 <requirement type="package" version="2.4.1">openbabel</requirement> 4 <requirement type="package" version="3.1.1">openbabel</requirement>
5 <requirement type="package" version="2.7">python</requirement> 5 <requirement type="package" version="3">python</requirement>
6 </requirements> 6 </requirements>
7 <stdio> 7 <stdio>
8 <regex match="obError" 8 <regex match="obError"
9 source="both" 9 source="both"
10 level="fatal" 10 level="fatal"