comparison chembl.xml @ 3:8b6ba267714b draft

"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 515aded04abf81089ebecf6fc6841447bd519b2f"

2:f56492688f43

<tool id="chembl" name="Search ChEMBL database" version="0.1.0">
    <description>for compounds which are similar to a SMILES string</description>
    <requirements>
        <requirement type="package" version="0.9.31">chembl_webresource_client</requirement>
    </requirements>
    <command detect_errors="exit_code"><![CDATA[
        python -W ignore '$__tool_directory__/chembl.py'
            $input.format '$input.smiles'
            -o $outfile

3:8b6ba267714b

<tool id="chembl" name="Search ChEMBL database" version="@VERSION@">
    <macros>
        <token name="@VERSION@">0.10.1</token>
    </macros>
    <description>for compounds which are similar to a SMILES string</description>
    <requirements>
        <requirement type="package" version="@VERSION@">chembl_webresource_client</requirement>
    </requirements>
    <command detect_errors="exit_code"><![CDATA[
        python -W ignore '$__tool_directory__/chembl.py'
            $input.format '$input.smiles'
            -o $outfile