18 lines
309 B
YAML
18 lines
309 B
YAML
defaults:
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- base
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job_name: 7s69_A
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protein_inputs:
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A:
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fasta_file: examples/protein/7s69_A.fasta
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sm_inputs:
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B:
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input: examples/small_molecule/7s69_glycan.sdf
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input_type: sdf
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covale_inputs: "[((\"A\", \"74\", \"ND2\"), (\"B\", \"1\"), (\"CW\", \"null\"))]"
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loader_params:
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MAXCYCLE: 10 |