test-data/config_3 fails with reference errors

[alanbchristie]

Should test-data/config_3 work?

When I run it (in a similar way to the example in the test.yaml GitHub action), e.g.: -

mkdir -p test-data/outputs/upload_3
python -m xchemalign.collator -c test-data/config_3.yaml
python -m xchemalign.aligner -d test-data/outputs/upload_3

I get...

ERROR: reference Mpro-IBM0045 is not in the set of crystals to be processed
ERROR: reference 5rgs is not in the set of crystals to be processed