The program DOPE looks for a pseudosymmetry in a structure among the (minimal) supergroups of the structure's space group.
The first step in the program is the input of the structure's data. The data can be given using the form or it can be loaded from a CIF file. The necessary data for the structure consists in the number of its space group in the International Tables for Crystallography, Vol A, the lattice parameters (in A and degrees), the number of the atoms in the asymmetric unit and the corresponding atomic positions.
Then, it's necessary to select among what type of supergroups the search is performed. The available options are:
- Minimal supergroups
- Supergroups for a given Space group and index
- Supergroup for a well-known transformation matrix
When you have filled all of the data, click on the [Show] button to search for pseudosymmetry with respect to the chosen supergroups option.
|
|
Please, enter structure data in the text area (or load CIF file).
Select supergroups type for pseudosymmetry search.
|
Pseudosymmetry search