Chem 3D

 

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Chem3D Ultra 5.0 brings workstation quality molecular surface graphics and intense calculation methods to your desktop computer.

Tight integration with a number of molecular analysis packages and a built-in calculation set-up environment make Chem3D the ideal front-end to your molecular modelling and analysis needs.

The latest release of Chem3D provides a Gaussian client interface to set up jobs for Gaussian 98W/98M. Compute surface areas and molecular volumes using the Connolly Surface algorithms. Also predict advanced physical properties such as LogP, solubility, molar refractivity and more.

Compute partial atomic charges using MOPAC or Huckel calculations. Visualize and superimpose molecular orbitals, electrostatic potentials, charge densities, spin densities and solvent accessible surfaces.

Release 5.0 has remodelled the graphical user interface into a unified window which allows customisation of the modelling, table and message areas. Extra export formats include: 3DMF, TIFF, BMP and PNG.

(Win / NT) (Mac)

Copyright 1995-2011 - Last updated 05-March-2015