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Modified foldseek to work with k8s.
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modules/local/foldseek_search.nf

Lines changed: 10 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -36,17 +36,21 @@ process FOLDSEEK_SEARCH {
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}
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"""
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export MAX_SEQS=\$(echo "${params.foldseek_max_seqs ?: 100}")
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export ALIGNMENT_TYPE=\$(echo "${params.foldseek_alignment_type ?: 2}")
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export THREADS=\$(echo "${task.cpus}")
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/usr/local/bin/foldseek_avx2 easy-search \\
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${structure} \\
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${db_path}/afdb \\
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${meta.id}_foldseek_results.tsv \\
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tmp_foldseek \\
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-e ${evalue} \\
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--max-seqs ${max_seqs} \\
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-s ${sensitivity} \\
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-c ${coverage} \\
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--alignment-type ${alignment_type} \\
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--threads ${task.cpus} \\
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-e ${params.foldseek_evalue ?: 0.001} \\
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--max-seqs \$MAX_SEQS \\
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-s ${params.foldseek_sensitivity ?: 9.5} \\
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-c ${params.foldseek_coverage ?: 0.0} \\
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--alignment-type \$ALIGNMENT_TYPE \\
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--threads \$THREADS \\
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--gpu 1 \\
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--prefilter-mode 1
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