This article informs you about limitations of Diamond running in demonstration mode as compared with Diamond running as full version. Note: It depends on the license file, whether Diamond runs in full or in demonstration mode (with the limitations mentioned below). Import of the following files is supported: DIAMDOC, DSF, EDF, DS1, CFG, CIF, CRY, CSD, DAT, PDB, ENT, INS, RES, DAT, IDF, KPL, XYZ, EMO, MOL, MOL2, MDL, CSSR.įrom Diamond Help Library shipped with version 4.6.4 (stand ): Limitations of the Demonstration Version One can import a structure, adjust its appearance and use screen capturing software for saving the image/animation. Refcode CUIMDZ01, a polymorph of a copper imidazolate framework (often called a 'ZIF' that shows the copper polyhedra and channel structure of the void spaceĬrystal Impact Diamond, despite being a commercial product, offers a free demo-version. Refcode ASETEZ - Iron-molybdenum inorganic ring (shown with orange and blue polyhedra, respectively)įig. Two examples of images produced with it (from it's site):įig. The free version can be downloaded in this link (available for Windows, Linux and Mac) and the instructions to activate it are here.
the strongest user-defined interactions in the crystal structure Calculate intermolecular potentials and display e.g.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 gain an understanding of the strengths and weaknesses of structures and identify the key interactions that drive crystal packing.
Generate packing diagrams, define and visualize Miller planes, and take slices through a crystal in any direction.It is part of the Cambridge Structural Database (CSD). Mercury is a specialized software to treat/manipulate crystal structures.
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