An official Gaussian-series payware for molecular visualization. Must be used with Gaussian, the well-known software of quantum chemistry calculation. This application provides many functions such as molecular modeling, parameter setting, job management and visualization of calculation results. It also performs input file generation for Gaussian, and supports read/write of files with other formats such as Sybyl, Molden, PDB and CIF.
An open-source application for molecular dynamics simulation of biomolecules. This application is optimized for massive parallel computing environments such as the K-computer, and can perform high-speed molecular dynamical simulation of proteins and biomolecules. This application supports both all atoms calculation and coarse-grained model calculation, and can treat extended ensemble such as a replica exchange method. This code is released under GPL license.
An educational support application for molecular dynamics. This application provides a graphical user interface (GUI) for Gromacs. Molecular dynamics simulation of liquid and proteins in solvent can be performed easily by choosing a PDB file on GUI.