PubChem MCP Server

MIT License

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get_3d_conformers

Retrieve 3D or 2D conformer data and structural details for chemical compounds using PubChem Compound ID (CID) for analysis and visualization.

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"
}

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