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io.github.wjgoarxiv/vmd-hydrate-mcp

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Publisher-provided description

Drive VMD for GROMACS/LAMMPS analysis + clathrate-hydrate cage science (needs a local VMD)

Summary by lookupd

Lets an agent run VMD scripts for molecular analysis of GROMACS and LAMMPS output, including clathrate-hydrate cage structures.

Install

Claude Code, pypi package (stdio)

claude mcp add vmd-hydrate -- uvx vmd-hydrate-mcp

Codex, pypi package (stdio)

codex mcp add vmd-hydrate -- uvx vmd-hydrate-mcp

Cursor, pypi package (stdio) → .cursor/mcp.json

{
  "mcpServers": {
    "vmd-hydrate": {
      "command": "uvx",
      "args": [
        "vmd-hydrate-mcp"
      ]
    }
  }
}

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Details

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