Study on the Cloud-like Visualization Model of Protein Molecule Orbitals by the Rejection Method
Haruki EGUCHI, Toshiyuki Hirano, Fumitoshi Sato · Journal of Computer Chemistry Japan · 2018
The new visualization technique of canonical molecule orbitals (MOs) was developed with the cloud-like model.The random position points according with MO distribution were generated by the rejection method.Quasi-isosurface indication was proposed and succeeded in representation of internal structure containing inclusion-type isosurface.Because this method also displays a wide range of MO values simultaneously, MO distribution can be observed with little loss of information.This method is useful for analyses in the complicated protein MOs.