Molecules and disordered structures
- Build molecules: Click
Build→Sketch Moleculein the menu, draw fragments to describe a molecule. ClickOptimize→Createto 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 Amorphousin the menu bar. Add molecules that you want to pack, including their behavior, amount and packing region. You can also checkAdd periodic boundaryto put the whole packing structure into a lattice. ClickPreviewto display the structure, thenLoadit into Q-Studio.
Build water molecules | Build an unordered structure |
Build water molecules
Build an unordered structure