Structures often contain atomic overlaps, disorder, floating solvents, or missing hydrogens that could not be resolved in the experiments. A structure file with these characteristics is usually sufficient in an experimental context, but is typically not suitable to serve as direct input for simulations. Since experimental researchers are typically not aware Tabs organise different applications (Geometry/cell optimisation and electronic properties, pore geometry analysis, isotherm calculation) that contain links to different tools (e.g., QUANTUM ESPRESSO and CP2K as DFT engines) using for any given applications. of such additional constraints, we developed a tool that flags the most commonly encountered issues, focusing on the particular case of metal-organic frameworks, and allows users to directly fix them with automated procedures.