molecule_info
Load a molecular structure and optional trajectory to get a summary of total atoms, frame count, protein/water/backbone atom counts, chain count, and residue count.
Instructions
Load a structure (and optional trajectory) and report a summary: total atoms, number of frames, protein/water/backbone atom counts, and the number of distinct chains and residues.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| structure | Yes | ||
| trajectory | No |