A new version of SHAPE, a program for calculating continuous shape measures of polyhedral structures, is now available for download (go to Downloads tab).
NEW FEATURES OF SHAPE 2.1
- Easier plotting of shape maps and minimal distortion pathways.
- Distinct labelling of crystallographically non equivalent atoms.
- Custom made reference shapes.
- Selection of structures from a CSD search using stereochemical criteria.
- Generation of movies of interconversion pathways between two ideal polyhedra.
The Electronic Structure Groups are members of: