MCP server for BIOVIA Materials Studio 2023 on Windows, providing controlled preparation of Forcite and CASTEP inputs, model building, and LAMMPS/VMD pre-processing with reproducible, auditable workflows and strict scientific boundaries.
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christopher2lllp3t-cell
Source: Glama
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WINDIRMS_MOC_MCP_ROOT"": "E:\\ms_mcp\\deployments\\current"MS_MOC_WORKSPACE_ROOTSystemRootMS_MOC_SCIENCE_ROOTNAMD_EXERPPREFIXMATERIALS_STUDIO_MCP_ROOT"": "E:\\ms_mcp\\deployments\\current",MD_PIPELINE_SOFTWARE_CONFIGMD_PIPELINE_POLICY_CONFIGMATERIALS_STUDIO_ROOT"": "D:\\Program Files (x86)\\BIOVIA\\Materials Studio 23.1",LAMMPS_EXECUTABLEMPIEXEC_EXECUTABLEVMD_EXECUTABLEPACKMOL_EXECUTABLEPACKMOL_SHELLRUN_MAT_SCRIPTTool annotations
No tools have read-only/destructive annotations
Add readOnlyHint or destructiveHint annotations to every tool so hosts can warn users before invoking.
All four hints declared on every tool
53/53 tools missing one or more hints — ms_detect_installation (missing: readOnlyHint, destructiveHint, idempotentHint, openWorldHint); md_pipeline_get_config (missing: readOnlyHint, destructiveHint, idempotentHint, openWorldHint); md_pipeline_health_check (missing: readOnlyHint, destructiveHint, idempotentHint, openWorldHint), +50 more. OpenAI's directory rejects tools where any of the four hints are missing or non-boolean.
For every tool, set all four hints (readOnlyHint, destructiveHint, idempotentHint, openWorldHint) to explicit true/false values that match the handler’s actual behaviour.
Destructive tools are labelled
10 tools perform destructive updates without destructiveHint — ms_geology_build_periodic_slab_cell deletes at line 5613 (destination.unlink(missing_ok=True)); ms_pack_periodic_aqueous_nacl deletes at line 5869 (path.unlink(missing_ok=True)); md_build_clayff_spce_nacl_lammps deletes at line 6093 (path.unlink(missing_ok=True))
Add destructiveHint:true to any tool whose handler calls .delete(), .upsert(), .update(), unlink, rm, DELETE, DROP, REPLACE INTO, or any operation that overwrites existing data.
Descriptions match behaviour
1 tool describes read intent but its handler mutates — md_build_clayff_spce_nacl_lammps (line 6093: path.unlink(missing_ok=True))
Rename the tool, rewrite the description, or move the side-effect into a separate clearly-named tool.
Tool inputs are validated
48/53 tool handlers declare input schemas (91%)
Declare an inputSchema with zod/joi/yup on every tool definition.
Tool handlers catch errors
28/53 tool handlers wrap calls in try/catch (53%)
Wrap each tool handler body in try/catch and return a structured error response.
Tests exist
No test files found
Add tests that exercise each declared tool.
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