Ontology highlight
ABSTRACT:
SUBMITTER: Cole JC
PROVIDER: S-EPMC4971547 | biostudies-literature | 2016 Aug
REPOSITORIES: biostudies-literature
Cole Jason C JC Groom Colin R CR Read Murray G MG Giangreco Ilenia I McCabe Patrick P Reilly Anthony M AM Shields Gregory P GP
Acta crystallographica Section B, Structural science, crystal engineering and materials 20160716 Pt 4
This analysis attempts to answer the question of whether similar molecules crystallize in a similar manner. An analysis of structures in the Cambridge Structural Database shows that the answer is yes - sometimes they do, particularly for single-component structures. However, one does need to define what we mean by similar in both cases. Building on this observation we then demonstrate how this correlation between shape similarity and packing similarity can be used to generate potential lattices ...[more]