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pypi.org : rmsd
Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates (XYZ or PDB format), using rotation (fx. Kabsch algorithm), atom reordering (fx. Hungarian algorithm), and axis reflections, resulting in the minimal RMSD.
Registry
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Source
- Documentation
- JSON
purl: pkg:pypi/rmsd
Keywords: alignment, assignment, atoms, kabsch, molecule, pdb, reordering, rmsd, structure, xyz
License: BSD-2-Clause
Latest release: over 1 year ago
First release: 8 months ago
Dependent packages: 8
Dependent repositories: 25
Downloads: 16,291 last month
Stars: 457 on GitHub
Forks: 115 on GitHub
Total Commits: 252
Committers: 18
Average commits per author: 14.0
Development Distribution Score (DDS): 0.171
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Last synced: 25 days ago