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36 lines
924 B
JSON
36 lines
924 B
JSON
{
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"M0255_1mg5_unfixed": {
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"input": "./input_pdbs/M0255_1mg5.pdb",
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"ligand": "NAI,ACT",
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"unindex": "A108,A139,A152,A156",
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"length": "180-200",
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"select_fixed_atoms": {
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"A108": "ND2,CG",
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"A139": "OG,CB,CA",
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"A152": "OH,CZ",
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"A156": "NZ,CE,CD",
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"ACT": "OXT",
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"NAI": ""
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}
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},
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"partial_diffusion": {
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"input": "./input_pdbs/7v11.pdb",
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"ligand": "OQO",
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"partial_t": 15.0,
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"contig": "A431",
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"unindex": "A572-573",
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"select_fixed_atoms": {
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"A431": "TIP",
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"A572": "BKBN",
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"A573": "BKBN"
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}
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},
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"dsDNA_basic": {
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"input": "./input_pdbs/1bna.pdb",
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"contig": "A1-10,/0,B15-24,/0,120-130",
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"length": "140-150",
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"ori_token": [24,20,10],
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"is_non_loopy": true
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}
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}
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