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Commit 54a030b8 authored by Gerardo Tauriello's avatar Gerardo Tauriello
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Account for early stopping option in ColabFold

NOTE: this was actually not used in the example output used by Tara but still good to have...
parent 14a60b46
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......@@ -319,8 +319,13 @@ def _parse_colabfold_config(cnfg_file):
description += f" with AlphaFold-Multimer (v{multimer_version})"
else:
description += f" with AlphaFold"
description += f" producing {cf_config['num_models']} models" \
f" with {cf_config['num_recycles']} recycles each"
if cf_config["stop_at_score"] < 100:
# early stopping feature of ColabFold
upto = "up to "
else:
upto = ""
description += f" producing {upto}{cf_config['num_models']} models" \
f" with {upto}{cf_config['num_recycles']} recycles each"
if cf_config["use_amber"]:
description += ", with AMBER relaxation"
else:
......
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