kabsch

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charnley / rmsd

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Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

pdb structure molecule alignment reordering xyz rmsd kabsch

Updated Jul 27, 2020
Python

ardcore / fit_transform

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Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.

cheminformatics rmsd molecular-modeling kabsch

Updated Mar 13, 2019
JavaScript

nbehrnd / aRMSD

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open toolbox for structural comparison, a fork aiming a deployment without PyInstaller under Linux. Note the project «aRMSD-minimalWindowsSupport», too.

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

Updated Dec 13, 2018
Python

nbehrnd / rmsdModerator

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batchwise Kabsch test with Jimmy Charnley's calculate_rmsd (https://github.com/charnley/rmsd) on multiple CPUs

python similarity crystallography xyz rmsd kabsch

Updated Mar 28, 2019
Python

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