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v0.1.9

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@HannesStark HannesStark released this 10 Dec 00:49
· 48 commits to main since this release

Fix delta sasa and plip metrics to only count between the ~chain_design_mask and design_mask. Previously we counted between ~design_mask and design_mask meaning that we count e.g. the interactions between designed nanobody CDR loops and and the scaffold.

add option to skip analyze step if cif path does not exist. This can happen when using --reuse if a process was interrupted between writing the refold .npz file and the refold .cif file.