Cloud Rowan Conformers
cloud_rowan_conformers
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Generate and rank conformers for a molecule using Rowan's conformer search workflow.
Preview. This tool is available but has not yet completed Paramus output verification. Treat results as provisional.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
smiles |
string | yes | Molecule SMILES |
num_conformers |
integer | no | Maximum conformers (default 10) |
name |
string | no | Workflow name |
Examples
n-butane conformers
Prompt: “Generate 5 conformers of n-butane.”
Usage notes
- REQUIRES API KEY: rowan_api_key in Paramus settings.
cloudconformersn-butanenumrowansmiles