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planemo-autoupdate
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Updating chemicaltoolbox/sucos from version 2020.03.4 to 2025.09.4
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chemicaltoolbox/sucos/sucos.xml

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<description>- compare shape and feature overlap of docked ligand poses to a reference molecule</description>
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<macros>
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<import>sucos_macros.xml</import>
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<token name="@GALAXY_VERSION@">1</token>
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<token name="@GALAXY_VERSION@">0</token>
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</macros>
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<expand macro="requirements"/>
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<command detect_errors="exit_code"><![CDATA[

chemicaltoolbox/sucos/sucos_cluster.xml

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<token name="@GALAXY_VERSION@">0</token>
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</macros>
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<expand macro="requirements">
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<requirement type="package" version="1.3.0">scipy</requirement>
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<requirement type="package" version="1.17.0">scipy</requirement>
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</expand>
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<command detect_errors="exit_code"><![CDATA[
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python '$__tool_directory__/sucos_cluster.py'

chemicaltoolbox/sucos/sucos_macros.xml

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<macros>
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<token name="@TOOL_VERSION@">2020.03.4</token>
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<token name="@TOOL_VERSION@">2025.09.4</token>
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<xml name="citations">
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<citations>
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<citation type="doi">10.26434/chemrxiv.8100203.v1</citation>

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