Molecular Analysis

ChemBio3D Ultra brings workstation-quality molecular graphics and rigorous computational methods to your desktop. Integration with molecular analysis makes ChemBio3D the ideal software for chemists and biochemists.

ChemBioViz Ultra 12.0 provides a tightly integrated visualization suite, allowing users to visualize and analyze their structures and data graphically, and identify trends and correlations within subsets of data.

ChemNMR provides the chemist with the automatic prediction of 13C NMR and 1H NMR chemical shifts from ChemDraw structures of an excellent quality. Chemical shifts and splitting patterns are clearly displayed and live-linked to the structure for both proton and carbon-13 NMR predictions. This product is ChemDraw Std plus the ChemNMR feature.

Gaussian 09 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling. All versions of Gaussian 09 contain every scientific/modeling feature, and none imposes any artifical limitations on calculations other than your computing resources and patience.

Cresset’s family of Fields-based tools provide you with a powerful new insight into the biological activity of your chemical compounds. Fields model the surface properties and shape of a compound (which determine its interaction with a target protein), and allow much more detailed analysis of how chemical structure relates to biological activity, whether or not you have a structure for your target.

Polymer-Design Tools is a feature packed software, dispensable for polymer design, development, selection, research, teaching and cost optimization. With an easy-to-learn and easy-to-use graphical interface for structure drawing, it can estimate over 60 properties of homopolymers and random copolymers (up to nine monomers), with remarkably good accuracy.