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added unfolding of proteins to the pdb preprocessing#232

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features/unfolded-proteins
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added unfolding of proteins to the pdb preprocessing#232
Sarkosos wants to merge 7 commits intostagingfrom
features/unfolded-proteins

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@Sarkosos Sarkosos commented Oct 9, 2024

An initial implementation of the unfolding of proteins into our codebase, how we handle this can change later.

there's currently an issue with the implementation because saving the unfolded pdb doesn't save the PBC (line that starts with CRYST). Should be an easy fix though

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