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TurtleTools / geometricus

A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.
https://turtletools.github.io/geometricus/
MIT License
37 stars 9 forks source link

Error running shapemer from RADIUS #29

Open rrw1007 opened 1 week ago

rrw1007 commented 1 week ago

I am running the 'getting_started.ipynb' notebook.

The following lines of code: invariants, _ = get_invariants_for_structures(X_names, n_threads=4, split_infos=[SplitInfo(SplitType.RADIUS, 5)], moment_types=["O_3", "O_4", "O_5", "F"])

give the error below:

AttributeError: 'C KDTree' object has no attribute 'search_center_radius'

Ninjani commented 4 days ago

Thanks for the report, could you please provide the version of prody you're using? This works for me with ProDy 2.4.1

rrw1007 commented 3 days ago

Thanks for the report, could you please provide the version of prody you're using? This works for me with ProDy 2.4.1

I am also running ProDy v 2.4.1