Can the interaction density be measured? The example of the non-standard amino acid sarcosine

Dittrich, B.; Spackman, M.A.

doi:10.1107/S0108767307039116

Acta Crystallographica Section A
Acta Crystallographica
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Figure 3
(a) Theoretical deformation density and (b) interaction density calculated from CRYSTAL98 (Saunders et al., 1998

). For the deformation density (a) contour lines are 0.1 e Å⁻³, while they are 0.025 e Å⁻³ in the interaction density (b) with blue indicating positive and red negative features.

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ISSN: 2053-2733

Volume 63| Part 5| August 2007| Pages 426-436

doi:10.1107/S0108767307039116

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