measure_geometry
Calculate distance (2 atoms), angle (3), or dihedral (4) measurements from molecular coordinates at a given frame.
Instructions
Measure a distance (2 atom indices), angle (3), or dihedral (4) at a frame. Distances are in Angstrom, angles in degrees.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| path | Yes | ||
| frame | No | ||
| indices | Yes | ||
| topology | No |