Molecules and disordered structures
- Build molecules: Click
Build
→Sketch Molecule
in the menu, draw fragments to describe a molecule. ClickOptimize
→Create
to put it in a new tab. You can build several molecules and then pack them into one structure, see step 2 below. - Build a disordered structure: Click
Build
→Build Amorphous
in the menu bar. Add molecules that you want to pack, including their behavior, amount and packing region. You can also checkAdd periodic boundary
to put the whole packing structure into a lattice. ClickPreview
to display the structure, thenLoad
it into Q-Studio.