Sommario
Caratteristiche tecniche

Database inclusi

Screenshot

Prodotti correlati

Requisiti di Sistema

Altre Informazioni
Altri programmi di chimica

Guida all'acquisto

ChemOffice Ultra 2006
Il primo software chimico al mondo.


Include:


ChemDraw Ultra 10.0
ChemDraw ActiveX/Plugin Pro 10.0
MestReC Std
Chem3D Ultra 10.0
Chem3D ActiveX Pro 10.0
GAMESS Pro 10.0
ChemFinder Ultra 10.0
CombiChem/Excel Pro 10.0
BioOffice Ultra 2006
BioDraw Ultra 10.0
BioAssay Ultra 10.0
BioViz Ultra 10.0
Inventory Ultra 10.0
E-Notebook Ultra 10.0

Caratteristiche tecniche (W indica caratteristiche disponibili solo per la versione Windows)

ChemDraw

LabArt
Publication-quality EPS glassware art for use within your ChemDraw documents.

Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules.

Online Menu
(W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button.

Structure CleanUp
Improves poor drawings.

Multi-Page Docs
Create multiple page documents and posters within a single ChemDraw file.

Name=Struct/Excel
(W) Generate a ChemDraw structure in MS Excel by typing in systematic chemical names for most substances.

Atom Numbering
Add sequential numbering indicators to atoms in a structure.

Floating Periodic Table
Element information available at all times with floating periodic table on the desktop.

Floating Character Map
Add special characters from any font instantly to any ChemDraw document.

Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements.

Polymer Draw
Represent and manipulate polymers in ChemDraw.

Struct<=>Name
Produce names for many more types of compounds, including charged compounds and salts, highly symmetric structures, many types of inorganic and organometallic compounds, and others.

Improved ChemNMR
Proton NMR spectra have more accurate chemical shifts and splitting patterns, and the predicted spectra are displayed more clearly for both proton and carbon-13 NMR predictions.

Stoichiometry Grid
Automatically track and update stoichiometry data for any user-defined chemical reaction.

BioDra
Draw biological pathways.

ChemDraw/Excel
(W) Use Excel to organize and analyze your chemical data.

Object Specific Settings
Create drawings with different styles in different parts of the document.

TLC Plate Tool
Customizable and crescent-shaped spots available from TLC tool for reproduction of TLC plates for inclusion in ChemDraw Documents.

Expand Generic Structure
Generate multiple structures from an "abbreviated" generic structure.

Custom Templates & Nicknames
Ability to create & edit templates & nicknames.

Mass & Other Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.

MDL Molfile
Read and write files in the Molfile format.

Relative Stereochemistry
Allows specification of relationships between groups of stereocenters smaller than an entire molecule.

ISIS-style Data SGroups
Data can be attached to objects.

MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.

Graphic Display & Image
Adds greater detail to on-screen drawings and saved image files.

New Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more.

Color Faded Shapes
Shapes can now be filled with a faded color.

Terminal Carbon Labeling
Automatic display of atom labels on terminal carbon atoms.

ActiveX Edit in ChemDraw
Edit your document using your installed version of ChemDraw, rather than your ActiveX, providing greater screen real estate for editing, and also access to the full range of ChemDraw capabilities.

Properties LiveLink
Chemical names, formulas, molecular weights, and other physical properties added to the document are “live”, and will now update automatically as modifications are made to structural diagrams.

Chemical File Format
Reading & writing of chemical file formats including spectra & reactions.

Chemical Warnings
Mouse-over red box to read error description.

View Demo

Graphical File Formats
Import graphics stored in GIF, TIFF, PNG, JPEG, and BMP formats.

Structure Drawing
Draw chemical structures.

 

Chem3D

Model Explorer/Chem3D
(W) Hierarchical tree-control for exploring the structure of large models. Import a PDB file and examine chains, groups, and ligands. This new feature gives fine-grained control.

View Demo

 
MOPAC Interface
(W) Chem3D interface to MOPAC. (Note: MOPAC application is required. See applications included section to clarify.)

Partial Surfaces
(W) Generate and display partial surfaces for protein active sites.

Spectrum Viewer
(W) Display spectral calculation results from Jaguar, Gaussian, and GAMESS as a graphical display in a separate window.

Schrödinger Jaguar Interface
(W) Chem3D interface to Schrödinger Jaguar, an ab-initio calculation package. (Note: Jaguar application is required. See applications included section to clarify.)

Hydrogen Bonds
(W) Automatically display hydrogen bonds in the 3D view!

PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models while giving a presentation.

Group Labels
(W) Display group labels in the Chem3D model view. 

ChemDraw LiveLink
(W) Simultaneous 2D & 3D editing! Draw structures using a ChemDraw window embedded in the Chem3D application. This powerful feature adds a 2D view that is always in-sync with the 3D view.

Dihedral Driver
(W) New conformational analysis tool allows the generation of MM2 energy plots.

Stereo Hardware Support
(W) Use Chem3D with a variety of stereo monitors, shutterglas ses, & other hardware to provide a true 3-dimentional modeling experience.

MM2
(W) Built in support for MM2 to generate realistic 3D structures.

Molecular Modeling & Dynamics
(W) Workstation quality molecular modeling.

GAMESS Interface
(W) Chem3D interface to GAMESS. (Note: GAMESS application is required. See applications included section to clarify.)

Automatic Overlay
(W) Select multiple molecules and let Chem3D automatically align them with a target molecule.

View Demo

Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display.

3D Glasses
(W) Included glasses provide enhanced stereo-mode with depth shadings to give realistic 3-dimensional quality to all Chem3D renderings. (Included in CD-ROM purchases only.)

ChemProp/Chem3D
(W) Advanced property parameter including BP, MP and more.

Gaussian Interface
(W) Chem3D interface to Gaussian. (Note: Gaussian application is required. See applications included section to clarify.)

CLogP
(W) CLogP property server provides the latest methodology for calculationg n-octanol/water partition coefficients.

 

ChemFinder

ChemFinder/Office
(W) Search on your computer or network for chemical structures in Word, Excel, Powerpoint, ChemDraw, ISIS files and more, and browse, search, refine, or export your hit list to any destination.

3D Query/Finder
(W) Query ChemFinder database by 3D parameter.

ChemFinder/Oracle
(W) Connects directly to Oracle, and carries out all searches and transactions on the server.

BioViz
(W) The bio visualization add-on to ChemFinder allows you to create graphical representations of ChemFinder databases in order to identify trends and correlations within subsets of your data.



E-Notebook Desktop
AutoText / E-Notebook
(W) Share prewritten protocols that dynamically add data from the experiment.

Configurability / E-Notebook
(W) Design forms and add buttons that are tailored to your needs. (multiple-user configuration only)

Microsoft Office & Galactic Spectra / E-Notebook
(W) E-Notebook manages all the other kinds of data chemists store in their notebooks. For free-form data, you can include Microsoft Word or Excel documents. For spectral data, you can take advantage of the Galactic Spectral Control embedded in the notebook that allows for analysis and storage of hundreds of kinds of spectra files.

ChemDraw & Stoichiometry Calculations / E-Notebook
(W) Stoichiometric calculations are long and tedious. E-Notebook tackles this troublesome problem by performing the calculations for you, dependant upon the drawn reaction and other entered parameters.

Extensive Data Types / E-Notebook
(W) Notebook pages include ChemDraw reaction schemes, Microsoft Word and Excel documents, and spectral data using the Galactic Spectral Control.

Multiple Projects
E-Notebook combines all your notebooks into one. Organize project notebooks the way you work.

Document Pages
Pages contain Excel spreadsheets, Word documents, ChemDraw drawings, spectral data, images and PowerPoint slides.

Retrieval
Search by structure, keyword, dates and other types of data. 

BioAssay Desktop

Curve Fitting & Validation

Fit data to any curve equation defined by the user. Remove outliers and tainted results.

Calculations & Graphing
Calculations are performed automatically whenever new data is entered or imported. Many options including bar, stacked bar, point, and line charts facilitate data analysis.

Data Analysis & Visualization
Data tables are linked allowing you to view associated data in one comprehensive screen. Use BioViz to create custom forms for viewing data. Export data to Microsoft Excel.

Flexible Assay Management / BioAssay
Even for the most basic protein assays, the independent and dependent variables used by the biologist to quantify efficacy can vary substantially from assay to assay. The underlying requirement that follows from this variability is for a flexible data management system that can adapt quickly to different assays and biological models. With BioAssay, researchers or IT support staff simply define the observables and calculations that make up the assay. The database does the rest. Users can set up unlimited levels of drill-down.



Inventory Desktop

Material Safety Data & ChemACX
Add and search your own Material Safety Data Sheets (MSDS), as well as search from over 20,000 MSDS within ChemACX.

SQL Server Role Based Security
Usernames and passwords are linked to predefined roles in SQL Server. These roles control which buttons and links are available after login.

Audit Trails
Changes to locations, containers and compounds are logged to the database. 

Duplicate Checking / Inventory
Duplicates are detected according to the key fields the user defines (e.g. structure, CAS number, and Substance Name).

Access ACX through Inventory
Search through the ChemACX database to add to your inventory. (Not available in downloaded versions.)

Container Management / Inventory
Containers are created to represent actual containers in your facility. Each container is assigned a unique barcode, which can be printed, using a customized format, from the Inventory interface. Users are able to check in and out, move, and duplicate containers at will.

Searching / Inventory
Every field in a record, including chemical structure, molecular formula and molecular weight are searchable. The application includes a number of specially designed inventory search forms. Search results are returned in list form. Inventory Manager also gives users the ability to search the ChemACX Database to speed reagent purchasing decisions.

Customized Report Generation / Creation
Built-in report generator. Use a wizard to rapidly generate new report templates. Customize report templates specific to your site's needs. Create reports (with sorted data) for search results or location contents. Reports can be exported to a variety of formats including PDF, HTML, Excel, RTF and JPEG. Email reports on the fly.

Cascading Location Model / Inventory
A fully cascading location model. Laboratories can decide for themselves the granularity of their locations. Some labs may define locations as wells on plates residing on shelves inside refrigerators, which, in turn, are found in laboratories. Another lab may decide to track reagents at the bench or cabinet level. Still, in other settings, it may suffice to track chemicals on a lab-by-lab basis.

Barcode Generation / Inventory
Assigns unique barcodes for each container in the system. Simply print the barcode and attach it to the container.



BioDraw

Integration / BioDraw
BioDraw works seamlessly with your other desktop programs so you can use your pathways in presentations and publications.

BioArt
A ChemDraw palette of customizable common biochemistry symbols including membranes, cellular structures and more.

Pathway Diagrams / BioDraw
BioDraw includes drawing tools specifically designed for pathway diagrams; you can create beautiful pathway diagrams in a matter of minutes.

Rotation & Integration
Rotate BioDraw objects and combine them with chemical structures.



BioViz

CombiChem/Excel
(W) Use ChemFinder for MS Excel to build combinatorial libraries with embedded ChemDraw structures.

BioViz/Office
Search on your computer or network for chemical structures in Word, Excel, Powerpoint, ChemDraw, ISIS files and more, and browse, search, refine, or export your hit list to any destination.

3D Query
(W) Query ChemFinder database by 3D parameter. 

BioViz
The bio visualization add-on to ChemFinder allows you to create graphical representations of ChemFinder databases in order to identify trends and correlations within subsets of your data.

top

Database inclusi (solo Windows)

ChemINDEX Ultra 10.0
Box Edition
comes with - (W) 1 DVD with 3 Databases: ChemINDEX (small molecule physical property data 70,000+ compounds), ChemRXN (29,000+ organic reaction databases), NCI Database (200,000+ anti-cancer drug dose-response data), AIDS Database (NCI compiled for anti-viral compounds)
Subscription Edition comes with - (W/M) Online one-year subscription to ChemINDEX

ChemACX Ultra 10.0
Box Edition
comes with - (W) 1 DVD with 2 Databases: ChemACX (product information from 434 of the top chemical supplier catalogs) & ChemMSDX (20,000+ material safety data sheets)
Subscription Edition comes with - (W/M) Online one-year subscription to ChemACX

Ashgate Drugs Personal Internet Edition
A one-year subscription to an encyclopedia of close to 8,000 drugs with recognized applications which includes detailed property information and more.

top

Requisiti di Sistema
win 2000, win xp


Prodotti Correlati
Consulta i prodotti che possono aiutarti ad utilizzare al meglio ChemOffice Ultra 2006.
CIS
Conformer
NamExpert
Nomenclator
Tapp
Sciglass
SciPolimer
SciProtein
Spectral Atlas
ScilogP
SciQsar
ChIM
Crystal maker
DOE Fusion
ChemSynth
ChemReact