Can I use ovito in Python to perform a dihedral statistic? I haven’t found any relevant code, but it’s easy to calculate the bond length and angle

OVITO can calculate bond angle and bond length distributions using a built-in modifier.

If you have a file format that includes embedded dihedrals, such as some LAMMPS dump formats, you can access these dihedral angles directly from the Python interface. Using the dihedral indices and the particle positions, you can calculate the bond vectors and obtain the dihedral angles using these equations.

If your file format does not include dihedral angles, you can use OVITO’s bond enumerator or the bond topology to find connected groups of bonds. You can then calculate the dihedral angles using the equations mentioned above.

yes,I have dump lammpstrj, I have made some attempts, but I am still not quite sure how to calculate the distribution of dihedral angles. Can you explain it in more detail? Thank you

Sure, can you be a bit more specific about where you got stuck?

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