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Despite supporting multiple molecules, prodigy does not handle ensembles:
prodigy/src/prodigy_prot/modules/parsers.py
Lines 36 to 47 in 1c53958
| # Keep first model only | |
| if len(s) > 1: | |
| logger.warning( | |
| ( | |
| "[!] Structure contains more than one model." | |
| " Only the first one will be kept" | |
| ) | |
| ) | |
| model_one = s[0].id | |
| for m in s.child_list[:]: | |
| if m.id != model_one: | |
| s.detach_child(m.id) |
it would be a good quality of life to handle the ensembles internally rather than with scripting on the user side
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