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Figure 3
Structures used for the demonstration of AutoLEI. (a) L-tyrosine obtained using a selected high-quality dataset. The electrostatic potential map (in blue, contoured at 1 RMSD) and difference map [positive in green and negative in red, contoured at 3 RMSD drawn in COOT (Emsley et al., 2010View full citation)] are superimposed. (b) The framework of the bismuth-containing MOF SU-100 viewed along the b axis (BiO7 polyhedra shown in purple). (c) Apo-MTH1. (d) Lysozyme model near a nitrate anion with no-filled 2Fo − Fc electrostatic potential map (blue, contoured at 1.5 RMSD) superimposed.

IUCrJ
Volume 13| Part 1| January 2026| Pages 105-115
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525010784