PubChem MCP Server

MIT License

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get_3d_conformers

Retrieve 3D conformer data and structural details for chemical compounds using PubChem Compound ID (CID) with the PubChem MCP Server.

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"
}

Install Server

HTTP connection URL

Related Tools

get_3d_conformers
@Augmented-Nature/Augmented-Nature-PubChem-MCP-Server
get_compound_info
@Augmented-Nature/Augmented-Nature-PubChem-MCP-Server
get_compound_synonyms
@Augmented-Nature/PubChem-MCP-Server
get_compound_info
@Augmented-Nature/PubChem-MCP-Server
get_compound_properties
@Augmented-Nature/Augmented-Nature-PubChem-MCP-Server
get_literature_references
@Augmented-Nature/PubChem-MCP-Server

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