Mercurial > repos > recetox > filter_compounds
comparison 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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-1:000000000000 | 0:72b687d21f65 |
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1 <macros> | |
2 <token name="@TOOL_VERSION@">3.1.1</token> | |
3 <token name="@GALAXY_VERSION@">1</token> | |
4 <xml name="creator"> | |
5 <creator> | |
6 <person | |
7 givenName="KarolĂna" | |
8 familyName="Trachtová" | |
9 url="https://github.com/trachtok" /> | |
10 <organization | |
11 url="https://www.recetox.muni.cz/" | |
12 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" | |
13 name="RECETOX MUNI" /> | |
14 </creator> | |
15 </xml> | |
16 | |
17 <xml name="requirements"> | |
18 <requirements> | |
19 <requirement type="package" version="@TOOL_VERSION@">openbabel</requirement> | |
20 <requirement type="package" version="3">python</requirement> | |
21 <yield /> | |
22 </requirements> | |
23 </xml> | |
24 | |
25 <xml name="stdio"> | |
26 <stdio> | |
27 <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" /> | |
28 </stdio> | |
29 </xml> | |
30 | |
31 <token name="@HELP@"> | |
32 <![CDATA[ | |
33 .. class:: infomark | |
34 | |
35 **What this tool does** | |
36 | |
37 Filters organometallics (compounds containing atoms other than C|N|O|P|F|S|I|B|Si|Se|Cl|Br|Li|Na|H|K) or | |
38 anorganics (compounds without C). Input can be either list of SMILES identifiers or indexed table of SMILES | |
39 (two tab-separated columns, first column is index, second columns is SMILES). | |
40 ]]> | |
41 </token> | |
42 </macros> |