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Chem 3D Ultra 9.0 box-shot

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)

Features Include:

  • ChemBio3D Ultra 11.0
    This ultimate application for desktop molecular modeling and state-of-the-art protein visualization is designed for both Chemists and Biologists. 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.
  • MOPAC Pro 11.0
    MOPAC is a general-purpose semi-empirical quantum mechanics package for the study of chemical properties and reactions in gas, solution, or solid-state. 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.
  • GAMESS Pro 11.0
    Chem3D Ultra provides a graphical interface to the GAMESS program for ab initio quantum chemistry. A variety of wavefunctions (RHF, ROHF, UHF, GVB, and MCSCF, CI and MP2 energy corrections) and basis sets are available. Users can also calculate vibrational frequencies and a variety of molecular properties, such as dipole moments, hyperpolarizabilities. GAMESS is maintained by the members of the Gordon research group at Iowa State University
  • ChemDraw Pro 11.0 (Windows/Mac)
    In addition to basic chemical structure drawing, this premier application provides Chemical query properties, , the ability to create and edit templates and nicknames, Annotation, Relative Stereochemistry, ISIS/Draw Compatibility, support for ISIS-style Data SGroups, Chemical File Formats, Expansion of Generic Structures, TLC Plate Tool, the new Freehand Pen Tool, Fragmentation Tools, PolymerDraw, ChemProp, Structure Cleanup, calculation of Topological Polar Surface Area as well as the ability to read and write a wide variety of chemical file formats including spectra and reactions.
  • ChemDraw/Excel Pro 11.0
    ChemDraw/Excel allows the user to create chemically knowledgeable spreadsheets within the familiar Microsoft Excel environment. You can build and manipulate chemical structures within Excel, compute chemical properties and perform database searches.
  • ChemFinder Std 11.0
    ChemFinder Std is a database management system appropriate for anyone who works with chemical information and chemical structure databases. Browse, create, search, and update databases with structural, numeric, and text data via user-customizable forms, including structural and sub-structural queries, as well as linking to related data in sub-forms. View and edit structures in a variety of modes, automatically create databases and forms for imported data, export and print.
  • E-Notebook Pro 11.0
    E-Notebook Pro allows users to maintain configurable lab journals with pages from ChemDraw, Microsoft Word, Excel, PowerPoint and spectral software. Search by structure and text, Draw reactions in ChemDraw. E-Notebook performs stoichiometric calculations dependant upon the reaction and other entered parameters. Retain a complete Audit trail of experiments at each save, including username and timestamp, share prewritten protocols that automatically add data from experiments using AutoText.
  • ChemDraw ActiveX/Plugin Pro 11.0
    This premier ActiveX Control/Plugin allows you to query online databases and view & publish online structures. This installer will automatically install the necessary Plugin or ActiveX controls based on your web browser(s). It adds save and print abilities to ChemDraw ActiveX/Plugin Net.
  • Chem3D ActiveX Pro 11.0
    This premier ActiveX Control/Plugin allows you to view & publish online structures in 3D. This installer will automatically install the necessary Plugin or ActiveX controls based on your web browser(s). It adds save and print abilities to Chem3D ActiveX/Plugin Net.

Minimum System Requirements:

Windows

  • Windows 2000, XP, Vista (32-bit only); Excel add-ins require MS Excel 2000, 2003, or XP

Educational Pricing:

ChemBio3D Ultra 11.0 with MOPAC
ex. VAT
1 User
£171.00
2-4 Users
£155.00*
5-9 Users
£125.00*
10-24 Users
£85.00*
* Price per user

ChemBio3D Ultra 11.0 with MOPAC students only
ex. VAT
Student version
£80.00
 
CambridgeSoft Index
 

 

 

Pricing is provided for use by qualifying establishments only. It is NOT for use by students and staff for personal purchases. It does not constitute an offer and is subject to our terms & conditions of supply and the site terms & conditions. For students and staff purchases please visit our Student Site.
E. & O.E. All Prices are exclusive of VAT unless indicated otherwise.

© Pugh Computers Ltd 2006

Tel: (01974) 200201 E-Mail: sales@pugh.co.uk