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Figure 3
Comparison of RMSD values for bonds (Å, left) and for angles (°, right) calculated for the PDB structures 1d8g and 3p4j with reference to CSD-derived restraint targets compiled in the present work (red), restraints proposed by Parkinson et al. (1996BB22) (green), and QM calculations (gray).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 75| Part 2| April 2019| Pages 235-245
https://doi.org/10.1107/S2052520619002002
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