This ultimate application for desktop molecular modeling and state-of-the-art protein visualization is designed for Chemists, Medicinal Chemists and Biochemists. Visualize detailed 3D protein-ligand complexes and DNA structures using open GL graphics and stereo hardware and display and analyze Hydrogen bonds and partial surfaces. Build small molecules using the ChemDraw interface and see the 3D structure appear simultaneously, perform basic Molecular modeling computations such as Alignment, Dihedral driver MM2 experiments, Molecular Mechanics with support for MMFF94 and Dynamics. Perform ab initio and semi-empirical calculations, and predict and visualize NMR, IR and Raman spectra with interfaces to MOPAC, Jaguar, GAMESS and Gaussian.

ChemBio3D provides affordable building, visualization, and computation tools on the desktop. Chem3D can be used to display many types of molecular surfaces and molecular orbitals. For macromolecules, Chem3D can render cartoon depictions of proteins and nucleic acids making it possible to carry out state-of-the-art protein visualization on the desktop.

The ChemBio3D Model Explorer allows users to fine tune the display characteristics of each building block of a protein or small molecule. These visualization capabilities include the ability to automatically display hydrogen bonds in 3D as well as group labels for groups such as amino acid residues in the 3D view. One can also generate and display partial surfaces for protein active sites. ChemBio3D has been a preferred front end for Quantum and Semi-empirical codes for many years. There are interfaces for GAMESS and Gaussian and an interface to Schrödinger's Jaguar code has been added. An interface for MOPAC is also included.

Here are some among the wide variety of the basic modeling tools included in the Ultra version of ChemBio3D:

ChemBio3D Ultra includes a number of high level analytical tools for chemical structure analysis, including:

This ultimate modeling suite includes: