contacts
Find atom-index contact pairs between two molecular selections within a cutoff distance at a specific frame.
Instructions
Find atom-index contact pairs between two selections at one frame.
cutoff is in Angstrom. The total contact count is always returned; the
explicit pairs list is clipped to max_pairs to keep MCP responses
bounded.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| frame | No | ||
| cutoff | No | ||
| max_pairs | No | ||
| structure | Yes | ||
| selection1 | Yes | ||
| selection2 | No | all | |
| trajectory | No |