moleditpy-mcp

Drive the MoleditPy molecular editor through its MCP server tools. Use when the MoleditPy MCP tools are connected and the task involves molecules loaded in MoleditPy: querying structure (SMILES, formula, atoms, bonds, 3D coordinates), loading/editing molecules, 3D visualization and highlighting, generating quantum-chemistry input files (ORCA, Gaussian, GAMESS, NWChem, xTB, ...), sandboxed file I/O, or writing…