PyMOL-MCP
Server Configuration
Describes the environment variables required to run the server.
| Name | Required | Description | Default |
|---|---|---|---|
| PYMOL_MCP_HISTORY | No | Directory for session history files, or 'off' to disable. Default is ~/.pymol-mcp/. Set to a custom path or 'off'. | |
| PYMOL_MCP_LOG_LEVEL | No | Log level for the MCP server. Set to 'INFO' or 'DEBUG' to enable logging. Default is no logging. |
Capabilities
Features and capabilities supported by this server
| Capability | Details |
|---|---|
| tools | {
"listChanged": false
} |
| prompts | {
"listChanged": false
} |
| resources | {
"subscribe": false,
"listChanged": false
} |
| experimental | {} |
Tools
Functions exposed to the LLM to take actions
| Name | Description |
|---|---|
| parse_and_executeA | Executes a single PyMOL command given in literal PyMOL syntax. NOT a natural-language interface.
Translating requests: "Load PDB 1UBQ and show it as cartoon" -> parse_and_execute("fetch 1ubq") -> parse_and_execute("as cartoon, 1ubq") "Colour chain A red" -> "color red, chain A" "Show sticks for residues 1-50" -> "show sticks, resi 1-50" "Open /data/model.pdb" -> "load /data/model.pdb" "Select the binding site" -> "select site, byres (polymer within 5 of ligand)" Common mistakes:
Selections use full PyMOL algebra ( Returns PyMOL's output, or a message describing the parse/execution failure. |
| list_instancesA | Lists the running PyMOL instances and what each has loaded. Each PyMOL claims its own port, so several can run at once. Pass a port as
The loaded object names are what distinguish one window from another; a port number on its own identifies nothing to a human. |
| list_commandsA | Lists the PyMOL commands Without Examples: filter="color" for the colouring commands, filter="cartoon" for cartoon-related ones, filter="fetch" for the exact fetch signature. |
Prompts
Interactive templates invoked by user choice
| Name | Description |
|---|---|
No prompts | |
Resources
Contextual data attached and managed by the client
| Name | Description |
|---|---|
No resources | |
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