5.4 Centroids OpenGL

VEGA can manage pseudo-atoms which coordinates are calculated in real time from the positions of other atoms as symmetry center. They are called centroids. A centroid can be used to measure distance, angle, torsion, angle between two planes as a normal atom. In molecular dynamics analysis the centroid position is recalculated for each frame.
To define a new centroid, the user must select the Edit -> Add -> Centroid menu item:

Centroid dialog box

Picking the molecule atoms, the user can add a new centroid. The maximum number of pickable atoms is six. Clicking the New button,  a new centroid is added and clicking the Reset button, the atom selection restarts from the beginning:

Centroid dialog box     Centroid

To close the dialog box, click Close and to remove all centroids, select Edit -> Remove -> Centroids. The centroids can be removed as normal atoms also. An application example can be the distance measure between two rings:

Example