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test-data/config_2 fails with KeyError #27

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alanbchristie opened this issue Jun 19, 2024 · 0 comments

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alanbchristie commented Jun 19, 2024

Should test-data/config_2 work? And if so, how is it executed?

When I follow the pattern for config 1 (from the example in the test.yaml GitHub Action)...

mkdir -p test-data/outputs/upload_2
python -m xchemalign.collator -c test-data/config_2.yaml
python -m xchemalign.aligner -d test-data/outputs/upload_2

It fails with KeyError: 'Mpro-x0107_fake_P1'

The text was updated successfully, but these errors were encountered:

alanbchristie assigned ConorFWild

alanbchristie mentioned this issue

Build (lint) is failing (ligand_neighbourhood_alignment) m2ms/fragalysis-frontend#1301

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