Computation result

Results of the computation are available on the Computation Results page in the grid view. Raw output files can also be downloaded from this page. If ChemLab supports output parsing (see the level of support table), detailed computation results can be opened from a link in the grid.

Chemists usually use separate programs to visualize molecular structures from output files. However, these programs have a disadvantage: structure position, zoom level, visualization style, bond visibility, and other visual settings are lost after the program is closed.

To solve this, ChemLab includes its own visualization module. It allows chemists to save the exact structure position and visualization settings they selected. When the computation result is opened again, the saved state is restored without the need to repeat the adjustments. This saved visualization state is called a View.

Users can create multiple views for each optimization step if needed. For example, one view can be used for later review, while another, with a different style and position, can be prepared for use in a paper.

During parsing, ChemLab automatically creates a default view named Original for each optimization step. This view cannot be removed.

In addition, each view can contain one or more Screenshots — images of the structure. These images can later be used in a paper, a notebook note, the computation results grid, and other places.