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biotite-dev / biotite

A comprehensive library for computational molecular biology
https://www.biotite-python.org
BSD 3-Clause "New" or "Revised" License
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Support computation of lDDT #685

Open padix-key opened 1 month ago

padix-key commented 1 month ago

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.

nscorley commented 3 weeks ago

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 commented 3 weeks ago

Hi, I currently already have a WIP branch. Expect a PR soon.