add_hydrogen
Add hydrogen atoms to molecular structures to complete valency and prepare for simulations or analysis.
Instructions
Add hydrogens to the structure. Aliases: protonate, add H, hydrogenate.
Example: add_hydrogen("#1")
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| spec | No | all |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |