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
Section A FOUNDATIONS AND ADVANCES

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Figure 4
By including the $[\kappa ']$ parameter (b) in the multipole model, unmodeled features in the Fourier residual electron density map (a) near the O-atom cores are reduced. Contour lines are 0.05 e Å⁻³ 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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