chill_plus
Classify water molecules as liquid, ice, or hydrate with CHILL+ to analyze phase composition, class counts, fractions, and O-O cutoff networks in MD simulations.
Instructions
Classify water molecules as liquid, ice, or hydrate with CHILL+.
The result contains the six class counts, per-water classes, fractions, and the unique O-O cutoff network in water input order.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| box | No | Periodic box in nm (3/6/9 values); else from get_symmetry. | |
| state | No | One-based PyMOL state to analyze. | |
| cutoff_nm | No | CHILL+ O-O cutoff in nm. | |
| selection | No | Selection of the water system. | all |
| object_name | No | Object whose box to use. Defaults to the selection's object. |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||