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Fix AF outputs.py _sniff_model_preset
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neoformit committed Oct 30, 2024
1 parent ab6025b commit f059bb8
Showing 1 changed file with 7 additions and 6 deletions.
13 changes: 7 additions & 6 deletions tools/alphafold/scripts/outputs.py
Original file line number Diff line number Diff line change
Expand Up @@ -113,12 +113,13 @@ def parse(self) -> None:

def _sniff_model_preset(self) -> bool:
"""Check if the run was multimer or monomer."""
with open(self.workdir / 'relax_metrics.json') as f:
if '_multimer_' in f.read():
return PRESETS.multimer
if '_ptm_' in f.read():
return PRESETS.monomer_ptm
return PRESETS.monomer
for path in self.workdir.glob('*.pkl'):
if 'feature' not in path.name:
if '_multimer_' in path.name:
return PRESETS.multimer
if '_ptm_' in path.name:
return PRESETS.monomer_ptm
return PRESETS.monomer


class ExecutionContext:
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