{ "params": { "query": { "type": "file", "description": "Path to input protein structure files (PDB/mmCIF format)", "default": "s3://omic/eureka/foldseek/input/1CRN.pdb", "required": true, "pipeline_io": "input", "var_name": "params.query", "examples": [ "s3://omic/eureka/foldseek/input/1CRN.pdb", "s3://omic/eureka/foldseek/input/*.pdb" ], "pattern": ".*\\.(pdb|cif|mmcif)(\\.gz)?$", "enum": [], "validation": {}, "notes": "Can be a single PDB/mmCIF file or a pattern to match multiple files. Supports gzipped files." }, "target": { "type": "file", "description": "Path to target database or directory for structure search", "default": "s3://omic/eureka/foldseek/input/", "required": true, "pipeline_io": "input", "var_name": "params.target", "examples": [ "s3://omic/eureka/foldseek/input/", "s3://omic/eureka/foldseek/databases/" ], "pattern": ".*", "enum": [], "validation": {}, "notes": "Can be a Foldseek database or a directory containing structure files." }, "outdir": { "type": "folder", "description": "Directory for Foldseek output results", "default": "s3://omic/eureka/foldseek/output", "required": true, "pipeline_io": "output", "var_name": "params.outdir", "examples": [ "s3://omic/eureka/foldseek/output" ], "pattern": ".*", "enum": [], "validation": {}, "notes": "Directory where all output files will be stored. Will be created if it doesn't exist." }, "mode": { "type": "string", "description": "Operation mode for Foldseek pipeline", "default": "search", "required": true, "pipeline_io": "parameter", "var_name": "params.mode", "examples": [ "search", "cluster", "multimersearch", "createdb" ], "pattern": "^(search|cluster|multimersearch|createdb)$", "enum": ["search", "cluster", "multimersearch", "createdb"], "validation": {}, "notes": "search: structure search, cluster: clustering, multimersearch: complex search, createdb: create database" }, "sensitivity": { "type": "number", "description": "Search sensitivity (higher = more sensitive but slower)", "default": 9.5, "required": false, "pipeline_io": "parameter", "var_name": "params.sensitivity", "examples": [ 7.5, 9.5 ], "pattern": "^[0-9]+(\\.[0-9]+)?$", "enum": [], "validation": {}, "notes": "Fast: 7.5, Default: 9.5. Range: 1.0 to 15.0" }, "evalue": { "type": "number", "description": "E-value threshold for reporting matches", "default": 0.001, "required": false, "pipeline_io": "parameter", "var_name": "params.evalue", "examples": [ 0.001, 0.01, 10 ], "pattern": "^[0-9]+(\\.[0-9]+)?([eE][+-]?[0-9]+)?$", "enum": [], "validation": {}, "notes": "Lower values are more stringent. Default: 0.001" }, "threads": { "type": "integer", "description": "Number of CPU threads to use", "default": 4, "required": false, "pipeline_io": "parameter", "var_name": "params.threads", "examples": [ 4, 8, 16 ], "pattern": "^[0-9]+$", "enum": [], "validation": {}, "notes": "More threads improve speed for larger searches." }, "alignment_type": { "type": "integer", "description": "Type of structural alignment algorithm", "default": 2, "required": false, "pipeline_io": "parameter", "var_name": "params.alignment_type", "examples": [ 0, 1, 2 ], "pattern": "^[0-3]$", "enum": [0, 1, 2, 3], "validation": {}, "notes": "0: 3Di only, 1: TMalign (global), 2: 3Di+AA (default), 3: LoLalign" }, "coverage": { "type": "number", "description": "Minimum fraction of aligned residues", "default": 0.0, "required": false, "pipeline_io": "parameter", "var_name": "params.coverage", "examples": [ 0.0, 0.5, 0.8 ], "pattern": "^[0-1](\\.[0-9]+)?$", "enum": [], "validation": {}, "notes": "Range: 0.0 to 1.0. Higher values produce more global alignments." }, "format_output": { "type": "string", "description": "Output format columns (comma-separated)", "default": "query,target,fident,alnlen,mismatch,gapopen,qstart,qend,tstart,tend,evalue,bits", "required": false, "pipeline_io": "parameter", "var_name": "params.format_output", "examples": [ "query,target,fident,evalue,bits", "query,target,alntmscore,qtmscore,ttmscore" ], "pattern": ".*", "enum": [], "validation": {}, "notes": "Available columns: query, target, fident, alnlen, mismatch, gapopen, qstart, qend, tstart, tend, evalue, bits, alntmscore, qtmscore, ttmscore, lddt, prob" } } }