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In this paper the calculation of intermolecular interaction energy based on Gavezzotti–Filippini semi-empirical method was performed for the series of substituted prolines. The initial structural data were mined from Cambridge Structural Database. The topology of each structure was analyzed with respect to a minimal generator set of the space group. It was shown that the least number of strong symmetrically independent interactions required to generate a crystal structure is likely to exceed the cardinality of a minimal generator set.

The Minimal Set of Intermolecular Interactions in the Structures of Substituted Prolines