ChemBio3D Ultra 12.0 with GAMESS Interface
A state of the art software that is designed for desktop molecular modeling of both small and large molecules
The Islamia University
This state of the art software is designed for desktop molecular modeling of both small and large molecules. Of all the natural sciences, the program is specifically recommended for analysis in Chemistry and Biology. Detailed 3D protein-ligand complexes and DNA structures can be visualized using open GL graphics and stereo hardware. Hydrogen bonds and partial surfaces can be displayed as well as analyzed. The software helps build small molecules using the ChemDraw interface, while simultaneously showing the 3D structure. It also effectively facilitates basic molecular modeling computations such as alignment, stochastic conformational sampling, dihedral driver, MM2 experiments, molecular mechanics with support for MMFF94 and dynamics. This software is highly recommended for performing ab initio and semi-empirical calculations, and also for predicting and visualizing NMR, IR and Raman spectra with interfaces to MOPAC, Jaguar GAMESS and Gaussian. The .....
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