Hi,
This script calculate the distances between all centroids in a model. It reads a trajectory file,
where the centroids should already be defined, creates a distance monitor for each of the distances,
and store the distances in a study table. The script uses DisplayRange, so the distances
are calculated in the simmulation cell as it is displayed (in-cell, original, etc).
After running the script, centroids remain numbered, which can be used to identify them.
Warning: The script requires that the centroids are already defined on the trajectory file.
Warning: it will take very long to run if the number of frames or the number of distances to analyze is
big. The number of distances to calculate is (n!*(n-1)!/2)*f, where n is the number of centroids and
f is the number of frames.
This script will work with Materials Studio 4.3 and Materials Studio 4.4 (although the trajectory in the
example can only be opened with MS 4.4) and requires the Materials Visualizer.
Regards,
Maria.