PorphyStruct

Entered: Tue Jan 25 2022

Operating systems: MS Windows

Type: Binary

Languages:

Distribution: Free MIT License

Application fields: Chemistry; Crystal chemistry; Inorganic chemistry; Structure; Structure prediction

Bibliography: J. Krumsieck, M. Bröring, Chem. Eur J., 2021, 27, 11580-11588.

Description: PorphyStruct, a new digital tool for the analysis of non-planar distortion modes of different porphyrinoids - The program makes use of the normal-coordinate structure decomposition technique (NSD) and employs sets of normal modes equivalent to those established for porphyrins in order to describe the out-of-plane dislocation pattern of perimeter atoms from corroles, norcorroles, porphycenes and other porphyrinoids quantitatively and in analogy to the established terminology.

References: https://github.com/JensKrumsieck/PorphyStruct/releases/latest