alter_state
Modify atomic coordinates in a specified state using an expression. Select atoms and apply coordinate assignments.
Instructions
Alters atomic coordinates in a state
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| state | Yes | State to modify. | |
| selection | Yes | Atoms to modify. | |
| expression | Yes | Assignment over coordinates, e.g. ``x=x+10``. |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |