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conda-forge.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 - Source - JSON
purl: pkg:conda/rmsd
Keywords: alignment, assignment, atoms, kabsch, molecule, pdb, reordering, rmsd, structure, xyz
License: BSD-2-Clause
Latest release: about 4 years ago
First release: about 4 years ago
Dependent packages: 1
Dependent repositories: 4
Stars: 370 on GitHub
Forks: 101 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 13 days ago

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