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Published 20 hours ago • verified publisher icon biotite-dev

Add CLePAPS structural alphabet

Open padix-key opened this issue 4 months ago • 0 comments

This PR adds support for the CLePAPS structural alphabet (https://doi.org/10.1142/s0219720008003461).

This PR is currently on hold as the obtained sequences do not fit the sequences from the reference implementation (taken from presentation slides as the original software is not available anymore). Curiously the centers of the clustered bending angles do not exceed 90°. Hence, I wonder if the centers given in the paper are correct

padix-key avatar Oct 19 '24 08:10 padix-key