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KosinskiLab / AlphaPulldownSnakemake

GNU General Public License v3.0
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flexible config.yaml #11

Closed DimaMolod closed 3 months ago

DimaMolod commented 4 months ago

At the moment, it's impossible to run this pipeline with multimeric templates because the flags for rule_create_features and rule_structure_inference are hardcoded in Snakefile. It would be great if one could add any flag from either create_individual_features.py or run_structure_prediction.py into config.yaml to be used with snakemake. For that, the dictionaries of all flags from both scripts should be available in snakefile.

maurerv commented 4 months ago

Feel free to check out 7edc828e5f178aa4600c6509d8f3686337adaa8f on the expose_cliparams branch