MCP Tools DirectoryAbout this integration
Drive VMD for GROMACS/LAMMPS analysis + clathrate-hydrate cage science (needs a local VMD)
- Transport
- stdio
- Authentication
- none
- Initial setup
- none
- Runtime
- unattended
- Evidence
- documented
- Version
- 0.2.0
- Package
- vmd-hydrate-mcp
- Last compatibility test
- Not independently tested
Connect your agent
vmd-hydrate-mcpPublisher documentation was reviewed only. Local file access is allowlisted, VMD is required for visualization, and some measurements need optional MDAnalysis. No package, VMD process, trajectory, or render was executed or security-audited.
Capabilities: stateful VMD control, GROMACS and LAMMPS trajectory analysis, hydrate cage identification, molecular order parameters, headless molecular rendering
Connected profiles
Additional details
io.github.wjgoarxiv/vmd-hydrate-mcp
Source ↗ · Checked 2026-09-170.2.0
Source ↗ · Checked 2026-09-17CC0-1.0; package licenses are separate
Source ↗ · Checked 2026-09-17pypi
Source ↗ · Checked 2026-09-17vmd-hydrate-mcp
Source ↗ · Checked 2026-09-200.2.0
Source ↗ · Checked 2026-09-20The default is a persistent headless VMD session, supporting repeated tool calls without a visible desktop or repeated human interaction. VMD is a separately installed local prerequisite for visualization features.
Source ↗ · Checked 2026-09-20The stdio MCP configuration documents no external account credential. The package internally uses a token-gated loopback socket plus filesystem and Tcl allowlists to control its local VMD subprocess.
Source ↗ · Checked 2026-09-20Run uvx vmd-hydrate-mcp from an MCP client's stdio configuration and set VMD_HYDRATE_MCP_ALLOW_DIR to the permitted local data paths. The existing null endpoint is preserved.
Source ↗ · Checked 2026-09-20Publisher documentation reviewed; package and integration endpoint not executed or independently security-audited.
Source ↗ · Checked 2026-09-20