 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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Figure 1
Effect of ADP restraints. (a) ISOR: restraint to induce approximately isotropic behaviour; (b) SIMU: restraint to align the direction of movement of two bonded atoms; (c) DELU: restraint to enforce Hirshfeld's rigid bond condition; (d) illustration of a situation where the rigid bond test is fulfilled (adhering to DELU), but the directions of movements are misaligned in a perpendicular plane; (e) RIGU: enhanced rigid bond restraint in which the movements in the two perpendicular planes are also aligned. Adapted from Schneider (1996  ), with permission from T. R. Schneider, and from Thorn et al., (2012), under the general licence agreement of IUCr journals. |
![[Figure 1]](pl5045fig1.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
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