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tethered workflow fixes
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src/nextflow/xchem/tether-dock-score.nf

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@@ -89,7 +89,7 @@ process rdock {
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file 'docking.as' from asfile
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output:
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file 'Docked_*.sd' into docked_parts
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file 'Docked_*.sd' optional true into docked_parts
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"""
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rbdock -r $prmfile -p dock.prm -n $params.num_dockings -i $part -o ${part.name.replace('Tethered', 'Docked')[0..-5]} > docked_out.log

src/nextflow/xchem/xcos.nf

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@@ -44,7 +44,7 @@ process joiner {
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container 'informaticsmatters/rdkit_pipelines:latest'
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publishDir ".", mode: 'move'
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publishDir ".", mode: 'link'
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input:
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file parts from scored_parts.collect()

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