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Figure 1
Projections of the Gly–L-Ala molecule as obtained from X-ray data after HAR at the BLYP/cc-pVTZ level (left column) and from neutron data (right column). ADPs are shown at the 50% probability level. The atom-numbering scheme at the top left is used throughout.

IUCrJ
Volume 1| Part 5| August 2014| Pages 361-379
ISSN: 2052-2525
doi:10.1107/S2052252514014845