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Support computation of lDDT #685

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Tracked by #698
padix-key opened this issue Oct 23, 2024 · 2 comments · May be fixed by #699
Open
Tracked by #698

Support computation of lDDT #685

padix-key opened this issue Oct 23, 2024 · 2 comments · May be fixed by #699
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@padix-key
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@padix-key
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The lDDT (https://doi.org/10.1093/bioinformatics/btt473) has become a popular measure for evaluation of computational protein models against a reference model.

Using Biotite's CellList this should be rather easy and fast to implement.
@padix-key padix-key self-assigned this Oct 23, 2024
@padix-key padix-key changed the title Supprt computation of lDDT Support computation of lDDT Oct 23, 2024
@nscorley
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nscorley commented Nov 1, 2024

Hi @padix-key -- I'm happy to pick this one up if you haven't progressed too far already, as we need this functionality for a project anyhow!

@padix-key
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Hi, I currently already have a WIP branch. Expect a PR soon.

This was referenced Nov 8, 2024
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Add support for lDDT computation padix-key/biotite
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