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bond lengths, angles, torsions etc) have been defined in the query. This integration enables powerful visualisation and analysis of ConQuest substructure searches where geometric parameters (e.g. Sophisticated data analysis tools within Mercury provide statistical, charting and plotting options alongside three-dimensional structural visualization and analysis. Refcode CUIMDZ01, a polymorph of a copper imidazolate framework (often called a 'ZIF' that shows the copper polyhedra and channel structure of the void space
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View Bravais, Friedel, Donnay and Harker (BFDH) theoretical crystal morphologies.the strongest user-defined interactions in the crystal structure Calculate intermolecular potentials and display e.g.
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Perform molecule-based gas phase calculations via an interface to MOPAC.Calculate and display voids (free space in crystal structures) based either on contact surface or solvent accessible surface.Build and explore networks of intermolecular contacts to gainĀ an understanding of the strengths and weaknesses of structures and identify the key interactions that drive crystal packing.Generate packing diagrams, define and visualise Miller planes, and take slices through a crystal in any direction.Mercury provides an extensive array of options to aid the investigation and analysis of crystal structures, allowing you to: Mercury offers a comprehensive range of tools for 3D structure visualization, the exploration of crystal packing and the statistical analysis of CSDĀ search data. Mercury - Crystal Structure Visualisation, Exploration and Analysis Made Easy