Aminated Tutorials

Title Page Points
Modeling Caffeine caffeine_model_en.htm caffeine_model_en.mp4 replace parts by [Rep] or right click; ring formation by [-C5H4]; transform to indenyl ring by [clean]; replace atoms by [Chng].
Adding new Parts. caffeine_parts_en.htm caffeine_parts_en.mp4 Parts addition menu.
MOPAC calculation and MO display;styrene molecule. styrene_mo_en.htm styrene_mo_en.mp4 MOPAC6 calculation through MOP6W70.
read *.mgf file, display energy levels and MO.
Vibration analysis by MOPAC;water molecule h2o_force_en.htm h2o_force_en.mp4 calculate by Force after structure optimization.
Optimization and vibration analysis by WinGAMESS; water molecule. h2o_gamess_opt_en.htm h2o_gamess_opt_en.mp4 h2o_gamess_hes_en.htm h2o_gamess_hes_en.mp4 optimize structure by RUNTYP=OPTIMIZE, and then vibration analysis by RUNTYP=HESSIAN.
Hexahelicene hexahelicene_model_en.htm
ring formation and cleaning up.
UV,Vis. spectrum of acetone. acetone.html optimize structure by MOPAC, and then calculate by CNDO/S.
Modeling C60. c60_model1.html
only [-C5H4] is used.
delete hydrogen, add bonding, clean,move atom only onece,place metal atom outside and then move inside.
Animation of Molecular Dynamics method. md_sample.gld
Animation of the result of MD calculation possible.
Please reffer to the file format of md_sample.gldCan be down loaded by right click. Extention should be .gld.
Atom#112 is a dummy atom for display.

Flash movie; created by Wink.          FlashPlayer Download
©2011 Norio Senda.