Files and software for using Polynator 1.6
L. Link, R. Niewa, J. Appl. Crystallogr. 56 (2023) 1855-1864. doi.org/10.1107/S1600576723008476
For inquiries, suggestions and comments please contact polynator@iac.uni-stuttgart.de
Improvements to older versions, particularly to 1.5:
- Substructure search now element-sensitive
- Graph-based model fitting (optional)
- Computation of minimal bounding spheres
- Improved user interface
- Fixed several bugs
Polynator is a program that fits model polyhedra to coordination environments by minimizing the squares of vertex deviations. It features a graphical user interface and processes the coordination environments it finds in .cif files with minimal input from the user.
Files for using PolyDis
D. Stoiber, R. Niewa, Z. Kristallogr. 234 (2019) 201-219.
PolyDis is a Microsoft Excel based software that fits model polyhedra by minimizing absolute vertex deviations. It gives the user full control over each coordinate in the coordination environment and fits one polyhedron at a time.
Rainer Niewa
Prof. Dr. rer. nat.Professor