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1 parent d9385de commit 9da6f71Copy full SHA for 9da6f71
src/nextflow/xchem/tether-dock-score.nf
@@ -141,6 +141,6 @@ process xcos {
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file 'XC_*.sdf'
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"""
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- python -m pipelines.xchem.xcos -i '$part' -if sdf -f '$hits' -o 'XC_${part.name[0..-5]}' -of sdf --no-gzip
+ python -m pipelines.xchem.xcos -i '$part' -if sdf -f '$fragments' -o 'XC_${part.name[0..-5]}' -of sdf --no-gzip
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}
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