Forum Navigation
You need to log in to create posts and topics.

Better bond/angle measurement/tracking tool

Dear Alex, dear Constanze,

as far as I'm aware, the current implementation of the bond/angle measurement tool is not the best. Easy bond and angle tracking is a crucial feature, which alone may prevent many researchers (at least from my current environment) from switching to OVITO.

There're several points, where the current implementation falls short:

  • tracking of several bonds or angles without creating a mess is impossible
  • the measurements are not saved in the Program State (=restarting the program makes everything vanish)
  • complete disregard of PBC, which I didn't expect, considering how well PBC handling is implemented overall in OVITO
  • impossible to measure dihedrals
  • blue lines between the particles are barely visible and do not provide any additional information

I'm not quite sure, what would be the best way to implement it. Personally, I'm not a fan of how it's implemented in VMD, as it takes too much of the interface space. But I must admit it's more convenient than OVITO's. Maybe it's worth making a fully-fledged modifier with its own visual element? Such, that one could put there all the measurements, highlight the most important ones, set custom names for bonds/angles/dihedrals, e.g. something like "Cu surface-O water" for a bond, etc.

It would be interesting to read your comments on this feature/issue.

Best regards,

Arkadii