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Figure 8
Comparisons using a specified subset of atoms can significantly reduce the calculation time. The durations shown are the fastest RMSD20 comparison out of 100 trials between two protein crystals. The abscissa represents RMSD20 values for the default PAC algorithm and the ordinate depicts the RMSD20 for a comparison limited to α-carbons. Log scales are utilized to allow all protein comparisons to be displayed on the same graph.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 55| Part 6| December 2022| Pages 1528-1537
https://doi.org/10.1107/S1600576722009670
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