Detect the local BIOVIA Materials Studio 2023 installation and key paths.

Return a redacted pipeline configuration summary safe for MCP clients.

Check MS, LAMMPS, MPI, VMD, conversion, and packing tools without running a simulation.

Read-only intake assessment for an incomplete Materials Studio model specification.

Plan local and human-reviewed remedies for model inputs that are not yet ready.

Read fixed-provider PubChem/Crossref metadata only after explicit network opt-in.

Audit the public MCP surface against the reviewed Windows/MS 2023 safety baseline.

Issue a short-lived, single-use confirmation for an exact production operation.

Preflight and asynchronously submit one exact governed operation.

Query one persisted task after proving ownership.

Plan or cancel one owned task and its fixed worker process tree.

Preflight and retry one owned failed or cancelled task as a new immutable task.

Create a non-overwriting, reproducible MS/LAMMPS/VMD project directory and manifest.

Read a pipeline project's manifest.

Replace the science contract and merge confirmed model/forcefield/geology requirements.

Register a project file with role, provenance, size, and SHA-256 integrity metadata.

Validate project structure, model specification, forcefield declaration, and registered file integrity.

Record a quality-gate decision and structured evidence in the project manifest.

Apply one audited, legal project lifecycle transition with a v1 result envelope.

Check an XSD or LAMMPS data file for structural, topology, type, cell, and charge issues.

Prepare hash-bound CASTEP PL/XSD folders, optionally bound to an adaptive plan.

Prepare hash-bound, execution-blocked .cell/.param files for standalone CASTEP.

Read-only preflight for the exact P3-C alpha-quartz CASTEP profile.

Run one exact generated CASTEP PL through MatServer and exit before CASTEP.

Inspect the local Gateway and report CASTEP submission blockers without submitting.

Run only the bounded G01 MS -> LAMMPS -> VMD qualification workflow.

Audit a frozen target-model science contract without running any engine.

Validate the CAR/MDF pair, forcefield class, and explicit msi2lmp parameter file before conversion.

Export a hash-bound project XSD to an audited CAR/MDF pair.

Convert a hash-bound project CAR/MDF pair with a hash-bound msi2lmp forcefield.

Search the installed Materials Studio 2023 scripting help.

Read a specific local Materials Studio help page and extract cleaned text and code examples.

Find local Materials Studio scripting code examples relevant to a query.

List built-in Materials Studio example documents such as .xsd and .xtd.

List the high-level workflows and helper tools exposed by this Materials Studio MCP server.

Recommend the best available Materials Studio MCP workflow for a natural-language task request.

Plan a high-level workflow without executing it.

Natural-language requests are intentionally plan-only. Call the selected controlled tool explicitly after reviewing its typed parameters and gates.

Scan a workspace folder for Materials Studio files.

Parse a Materials Studio document or project file and return best-effort metadata.

Convert a reviewed 2D surface to a hash-bound 3D periodic slab cell.

Pack exact SPC/E water and NaCl counts into an audited periodic slab cell.

Generate an exact-count neutral quartz ClayFF/SPC/E/Joung LAMMPS candidate.

Import a hash-bound CIF/XSD crystal parent and verify its periodic element inventory.

Read and fail-closed validate a mineral nanopore construction contract.

Return the readiness of the local Materials Studio desktop-control layer.

Open one hash-bound project document through MOC after an optional dry run.

Build one audited XSD supercell with the local MS 2023 BuildSuperCell API.

Enumerate nonproduction surface candidates without selecting or repairing a termination.

Apply an explicit, named P1 substitution ledger and return a nonproduction candidate.

Place explicit counterions from a reviewed P1 fractional-coordinate ledger.

Protonate an explicit ledger of singly Si-coordinated O sites in a 2D p1 surface.

List analysis targets through a hash-bound, confirmed MaterialsScript run.

Run one hash-bound Forcite profile and preserve its complete evidence bundle.