shelx-mcp
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TDQS
Scored across 12 tools
Most tools have distinct purposes: run_shelx is a generic runner, while solve and refine are specialized wrappers that could be confused with it but are clearly described. The pairs list_commands/list_solution_keywords and command_help/solution_help are differentiated by domain (refinement vs. solution), but agents might initially pick the wrong one.
Tool names are predominantly snake_case and verb-first (search_commands, validate_ins, analyze_results), but a few are noun-first (command_help, solution_help, shelx_info). The pattern is mostly consistent and readable, with minor deviations.
With 12 tools, the server is well-scoped for the SHELX crystallography domain. Each tool covers a distinct aspect (running programs, getting help, validating input, analyzing output), and the count is within the ideal 3-15 range without feeling excessive.
The tool surface covers the full workflow: searching/listing/help for commands and keywords, running any SHELX program, dedicated solve/refine wrappers, input validation, output analysis, and environment reporting. No obvious gaps that would block a typical crystallographic workflow.