PLATON Manual

The Treatment of Disorder

The program attempts to manage the problems that are encountered with several types of disorder. Only two-fold disorder is allowed. Populations higher than 0.5 are understood as major disorder components and those less than 0.5 as minor disorder components. The usual transformations on input coordinates are restricted. In general it will be necessary to supply disordered molecules as connected sets. The calculation of distances and angles etc. will extend only to entities involving the major disorder component or the minor disorder component but not both.