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| Crystalmaker torrent | While we keep Universal Force Field UFF force constants where no MM3 are available, a number of bond lengths and angles for small inorganic molecules have been revised to their standard values rather than simply relying on the sum of covalent radii plus a correction term. CIF files are now written and read correctly by CrystalMaker. Also included is a teaching library of crystal-chemical type structures, plus thematic libraries covering topics as diverse as chemical warfare, medicinal chemistry, food flavourings and more. Energy-modeling tools let you design and relax new structures, predict their vibrational properties, and explore how they interface with other materials. Simply hold down the shift key as you click; a bond will be added between the new atom, and the previously-added one. |
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