GAMGI Interfaces: Molecule Measure

# Molecule Measure

- Type
- Symmetry
- Voronoi
- Tolerance
- View

Chose the method of analysis: Geometry, Symmetry or Voronoi.

### Geometry

This method measures all the bond lengths, angles and torsions in the structure. For each quantity, it is reportied the number of occurrences, the minimum and maximum values, the average value and the standard deviation.

### Symmetry

This method determines the point group of symmetry of the structure, either in the chemical context (infinite groups, all symmetry operations are allowed) or in the crystallographic context (32 groups, only 1, 2, 3, 4, 6 rotations and other operations compatible with lattice symmetry are allowed).

### Voronoi

This method determines the Voronoi tesselation of the structure, shows the resulting polyhedra in a new layer, and reports a large list of its most important geometrical and topological properties.

This analysis can be made with planar bondaries (to close the outside polyhedra) or with full periodic boundary conditions, with equal weights for all atoms (the usual Voronoi tesselation) or with a different weight for each atom (given by its atomic radius, the so-called radical tesselation).
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