Introduction to Building
II.Advanced Building

 

Abstract. Some molecules can be particularly annoying or tedious to build. Various programs make this easier by having fragment or monomer menus, but the fragments available come through the whim of the programmer. It is important to find ways to build more complex structures, since (once saved) these can act as the units for later calculations. A rule of thumb is that it is often efficient to build/optimize/manipulate a complex molecule from smaller units. This exercise is aimed at giving practice with drawing various more complex systems.


Procedure. Use the builder and (if available) structure pre-optimizing routines to obtain reasonable starting geometries for the following systems.