nbehrnd/aRMSD

Pairwise structural comparison of .xyz, a fork of aRMSD to work without PyInstaller in Linux. Note the project «aRMSD-minimalWindowsSupport», too.

5 stars 0 forks 0 watchers Python

alignment cif crystallography kabsch kabsch-algorithm model pdb python rmsd structure xyz

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1 Open Issue Need Help Last updated: Jul 2, 2025

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modernization of the syntax necessary 2 months ago

AI Summary: Modernize the aRMSD Python codebase to use current versions of NumPy and VTK, ensuring compatibility with modern Linux distributions and potentially Windows 10/11. This involves updating outdated syntax and resolving any dependency conflicts that arise from the upgrade.

Complexity: 4/5

bug help wanted

nbehrnd/aRMSD

Pairwise structural comparison of .xyz, a fork of aRMSD to work without PyInstaller in Linux. Note the project «aRMSD-minimalWindowsSupport», too.

Python

#alignment#cif#crystallography#kabsch#kabsch-algorithm#model#pdb#python#rmsd#structure#xyz