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Version: 1.0

Molecules and disordered structures

  1. Build molecules: Click BuildSketch Molecule in the menu, draw fragments to describe a molecule. ClickOptimizeCreate to put it in a new tab. You can build several molecules and then pack them into one structure, see step 2 below.
  2. Build a disordered structure: Click BuildBuild Amorphous in the menu bar. Add molecules that you want to pack, including their behavior, amount and packing region. You can also check Add periodic boundary to put the whole packing structure into a lattice. Click Preview to display the structure, then Load it into Q-Studio.
DrawingBuild water molecules
DrawingBuild an unordered structure