Chem3D
Chem3D provides visualization and display of molecular surfaces, orbitals, electrostatic potentials, charge densities and spin densities. Chem3D utilizes MOPAC, Gaussian, GAMESS and extended Hückel to compute molecular properties. ChemProp computes Connolly surface areas, molecular volumes and properties,including Tinker, ClogP, molar refractivity, critical temperature and pressure.
Software Offerings:
ChemBio3D Ultra 11.0 with MOPAC
The ChemBio3D Ultra 11.0 suite includes ChemDraw Pro 11.0, ChemBio3D Ultra 11.0 , Chem3D interfaces to Schrödinger’s Jaguar and Gaussian, GAMESS Pro 11.0 , MOPAC 2002 Pro, ChemFinder Std 11.0, ChemDraw/Excel, E-Notebook Pro 11.0 and the ChemDraw and Chem3D ActiveX Pro Controls & Plugins.
ChemBio3D Ultra 11.0 brings workstation-quality molecular graphics and rigorous computational methods to your desktop, allowing you to explore the structure of large chemical and biological models. The Structure Browser is a new tool for viewing sets of small structures and their properties for analysis and comparison.
*(W = Windows Only)
Jaguar for Chem3D
Schrödinger Jaguar is an industry leading ab-initio computational package. It features high performance, high accuracy, and it scales well with large systems.
MOPAC Ultra 2002
This ultimate molecular computation application adds support for more than 200 atoms, use of d-orbitals, PM5 Methods and MOZYME to MOPAC Pro.
MOPAC Pro 2002
This premier molecular computation application features a number of widely-used, semi-empirical methods and allows you to compute properties and perform energy minimizations, optimize to transition states, and compute properties. It supports MOPAC sparkles, has an improved user interface, and provides faster calculations.
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