diff --git a/.gitignore b/.gitignore index 8855ad8..e8efe8f 100644 --- a/.gitignore +++ b/.gitignore @@ -10,4 +10,3 @@ __pycache__/ .idea/ *.tmp *.swp -tests/test_data/dataset.tgz diff --git a/main.nf b/main.nf index 0f2eec3..d690c4f 100644 --- a/main.nf +++ b/main.nf @@ -3,7 +3,7 @@ nextflow.enable.dsl=2 // Default parameters -params.pdb = 's3://omic/eureka/prodigy/input/*.pdb' +params.pdb = 's3://omic/eureka/prodigy/*.pdb' params.outdir = 's3://omic/eureka/prodigy/output' params.distance_cutoff = 5.5 params.acc_threshold = 0.05 diff --git a/nextflow.config b/nextflow.config index 8d129c6..e76c402 100644 --- a/nextflow.config +++ b/nextflow.config @@ -15,7 +15,7 @@ manifest { // Global default parameters params { - pdb = 's3://omic/eureka/prodigy/input/*.pdb' + pdb = 's3://omic/eureka/prodigy/*.pdb' outdir = 's3://omic/eureka/prodigy/output' distance_cutoff = 5.5 acc_threshold = 0.05 diff --git a/params.json b/params.json index 23d7947..9109448 100644 --- a/params.json +++ b/params.json @@ -3,13 +3,13 @@ "pdb": { "type": "file", "description": "Path to input PDB or mmCIF structure file(s) for binding affinity prediction", - "default": "s3://omic/eureka/prodigy/input/*.pdb", + "default": "s3://omic/eureka/prodigy/*.pdb", "required": true, "pipeline_io": "input", "var_name": "params.pdb", "examples": [ - "s3://omic/eureka/prodigy/input/3bzd.pdb", - "s3://omic/eureka/prodigy/input/*.pdb" + "s3://omic/eureka/prodigy/3bzd.pdb", + "s3://omic/eureka/prodigy/*.pdb" ], "pattern": ".*\\.(pdb|cif)$", "enum": [],