get_3d_conformers
Retrieve 3D molecular structure data and conformer information from PubChem using compound identifiers to analyze molecular geometry and spatial arrangements.
Instructions
Get 3D conformer data and structural information
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| cid | Yes | PubChem Compound ID (CID) | |
| conformer_type | No | Type of conformer data (default: 3d) |
Input Schema (JSON Schema)
{
"properties": {
"cid": {
"description": "PubChem Compound ID (CID)",
"type": [
"number",
"string"
]
},
"conformer_type": {
"description": "Type of conformer data (default: 3d)",
"enum": [
"3d",
"2d"
],
"type": "string"
}
},
"required": [
"cid"
],
"type": "object"
}