The GUI Interface

Up to this point, we have used a numerical input file to stress the fact that computers work on numbers, not diagrams, MM3 and TINKER work from numerical input files that are similar but not identical. Both can be adapted to wo rk u n de r th e c om m an d o f a g ra p h i c al w se r i n terface, G UI (p ro n o u n c ed g oo ey , Before going into more detail concerning MM, we shall solve a geometry optimization using the GUT of PCMODEL (Serena Sortware). The input is constructed by using a mouse to point and click on each atom of the connected atom list or skeleton of the molecule. This yields Fig. 4-6 (top). 

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Simulations were performed by optimizing the setting parameters and modeled airflows. The pressure and lung volume profiles can be observed simultaneously and breathing patterns can also be obtained. The simulator imitates the software structure with the GUI interface manifestation. The respiratory physiology (Picoi and Vco ) " as firstly set while imitating with the respiratory mechanical characteristics Rrs and Ers under various loaded breathing. 

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