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Failure with alphaFold models #18

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KevinBattaile opened this issue Jun 22, 2024 · 0 comments
Open

Failure with alphaFold models #18

KevinBattaile opened this issue Jun 22, 2024 · 0 comments

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@KevinBattaile
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Dimple is failing when presented with alphaFold models. This seems to be because the models are deposited in P1 with '1 1 1 90 90 90' cell constants and rwcontents chokes on that, then dimple exits.

Given the increase in alphaFold models, is there a potential fix in dimple for this situation?
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@KevinBattaile