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Fix input_pdb path in design_macrocyclic_binder and fix incorrect call to res in test_diffusion.py

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woodsh17
2025-10-10 15:21:04 -05:00
parent f43a81d59d
commit 778f8d4b28
2 changed files with 2 additions and 2 deletions
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2
examples/design_macrocyclic_binder.sh
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@@ -9,7 +9,7 @@
inference.output_prefix=example_outputs/diffused_binder_cyclic2 \
inference.num_designs=2 \
'contigmap.contigs=[12-18 A3-117/0]' \
inference.input_pdb=/input_pdbs/7zkr_GABARAP.pdb \
inference.input_pdb=./input_pdbs/7zkr_GABARAP.pdb \
inference.cyclic=True \
diffuser.T=50 \
inference.cyc_chains='a' \

2
tests/test_diffusion.py
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@@ -53,7 +53,7 @@ class TestSubmissionCommands(unittest.TestCase):
for bash_file in sorted( glob.glob(f"{self.out_f}/*.sh"), reverse=False):
test_name = os.path.basename(bash_file)[:-len('.sh')]
res, output = execute(f"Running {test_name}", f'bash {bash_file}', return_='tuple', add_message_and_command_line_to_output=True)
self.exec_status[test_name] = (exit_code, output)
self.exec_status[test_name] = (res, output)
self.results[test_name] = dict(
state = 'failed' if res else 'passed',