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1 parent 10c7559 commit 9238dd8Copy full SHA for 9238dd8
src/nextflow/xchem/tether-dock-score.nf
@@ -69,7 +69,7 @@ process tether {
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"""
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python -m pipelines.xchem.prepare_tether --smi '$smiles' --mol '$mol'\
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- --chunk-size $params.chunk_size_tether
+ --chunk-size $params.chunk_size_tether\
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${params.ph_min != null ? '--min-ph ' + params.ph_min : ''}\
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${params.ph_max != null ? '--max-ph ' + params.ph_max : ''}\
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${params.timeout_embed != null ? '--timeout-embed ' + params.timeout_embed : ''}\
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