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ChemBio3D
Ultra 11.0 with MOPAC
The
ChemBio3D Ultra 11.0 suite includes ChemDraw Pro 11.0,
ChemBio3D Ultra 11.0 , Chem3D interfaces to Schrödingers
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)
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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:
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ChemBio3D Ultra 11.0 with MOPAC |
ex.
VAT
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| 1
User |
£171.00
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| 2-4
Users |
£155.00*
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| 5-9
Users |
£125.00*
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| 10-24
Users |
£85.00*
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*
Price per user
| ChemBio3D
Ultra 11.0 with MOPAC
students only |
ex.
VAT
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| Student
version |
£80.00
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