Visualization

Cosmoview

CosmoLayer offers a command line interface for visualizing COSMO files. The cosmoview command launches a window displaying the molecular structure along with a tessellated COSMO cavity surface, where each segment is color-coded according to its charge density.

Visualize COSMO files

usage: cosmoview [-h] [--show-original-charge-densities]
                 [--use-continuous-colors]
                 [--segment-edge-color SEGMENT_EDGE_COLOR]
                 [--colormap COLORMAP]
                 cosmo_file

Positional Arguments

cosmo_file

Path to a COSMO quantum mechanical output file

Named Arguments

--show-original-charge-densities

Show original charge densities instead of smoothed ones

Default: False

--use-continuous-colors

Use continuous colors instead of uniformly colored segments

Default: False

--segment-edge-color

Color of the edges between segments (default: None)

--colormap

Matplotlib colormap name (default: jet)

Default: 'jet'