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https://github.com/nbehrnd/rmsdmoderator

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

crystallography kabsch python rmsd similarity xyz

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

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