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comparison chembl.xml @ 9:a446ea7e2bc1 draft default tip

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 7ca965e469cce3951d22c854dc7b6cb2a3a4f9f6"
author bgruening
date Tue, 23 Mar 2021 13:48:35 +0000
parents a43a00845834
children
comparison
equal deleted inserted replaced
8:a43a00845834 9:a446ea7e2bc1
1 <tool id="chembl" name="Search ChEMBL database" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> 1 <tool id="chembl" name="Search ChEMBL database" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
2 <description>for compounds which are similar to a SMILES string</description> 2 <description>for compounds which are similar to a SMILES string</description>
3 <macros> 3 <macros>
4 <token name="@TOOL_VERSION@">0.10.1</token> 4 <token name="@TOOL_VERSION@">0.10.1</token>
5 <token name="@GALAXY_VERSION@">3</token> 5 <token name="@GALAXY_VERSION@">4</token>
6 </macros> 6 </macros>
7 <requirements> 7 <requirements>
8 <requirement type="package" version="@TOOL_VERSION@">chembl_webresource_client</requirement> 8 <requirement type="package" version="@TOOL_VERSION@">chembl_webresource_client</requirement>
9 </requirements> 9 </requirements>
10 <command detect_errors="exit_code"><![CDATA[ 10 <command detect_errors="exit_code"><![CDATA[
40 <param name='type' type='select' format='text' label="Search type" help="Search for compounds are similar to the SMILES input, or which contain the SMILES input as a substructure"> 40 <param name='type' type='select' format='text' label="Search type" help="Search for compounds are similar to the SMILES input, or which contain the SMILES input as a substructure">
41 <option value='-t'>Similarity</option> 41 <option value='-t'>Similarity</option>
42 <option value='-s'>Substructure</option> 42 <option value='-s'>Substructure</option>
43 </param> 43 </param>
44 <when value="-t"> 44 <when value="-t">
45 <param type="integer" name="tanimoto" label="Tanimoto cutoff score" help="Score for similarity search. Minimum value is 70." value="70" min="70" max="100"/> 45 <param type="integer" name="tanimoto" label="Tanimoto cutoff score" help="Score for similarity search. Minimum value is 40." value="70" min="40" max="100"/>
46 </when> 46 </when>
47 <when value="-s"/> 47 <when value="-s"/>
48 </conditional> 48 </conditional>
49 49
50 <param name="drugs" type="boolean" value="false" label="Filter to return only approved drugs" truevalue="-d" falsevalue=""/> 50 <param name="drugs" type="boolean" value="false" label="Filter to return only approved drugs" truevalue="-d" falsevalue=""/>