Mercurial > repos > recetox > filter_compounds
diff macros.xml @ 0:72b687d21f65 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/filter_compounds commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author | recetox |
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date | Tue, 22 Mar 2022 16:06:54 +0000 |
parents | |
children | 6c5df3eeb768 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Tue Mar 22 16:06:54 2022 +0000 @@ -0,0 +1,42 @@ +<macros> + <token name="@TOOL_VERSION@">3.1.1</token> + <token name="@GALAXY_VERSION@">1</token> + <xml name="creator"> + <creator> + <person + givenName="KarolĂna" + familyName="Trachtová" + url="https://github.com/trachtok" /> + <organization + url="https://www.recetox.muni.cz/" + email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" + name="RECETOX MUNI" /> + </creator> + </xml> + + <xml name="requirements"> + <requirements> + <requirement type="package" version="@TOOL_VERSION@">openbabel</requirement> + <requirement type="package" version="3">python</requirement> + <yield /> + </requirements> + </xml> + + <xml name="stdio"> + <stdio> + <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" /> + </stdio> + </xml> + + <token name="@HELP@"> + <![CDATA[ + .. class:: infomark + + **What this tool does** + + Filters organometallics (compounds containing atoms other than C|N|O|P|F|S|I|B|Si|Se|Cl|Br|Li|Na|H|K) or + anorganics (compounds without C). Input can be either list of SMILES identifiers or indexed table of SMILES + (two tab-separated columns, first column is index, second columns is SMILES). + ]]> + </token> +</macros>