ChemOffice Pro 2008 (W)
 This
premier chemistry suite includes ChemBioDraw Ultra 11.0, MestReC Std,
ChemScript, ChemBio3D Ultra 11.0, ChemFinder Pro 11.0, ChemDraw/Excel,
and E-Notebook Ultra 11.0, the ChemDraw and Chem3D ActiveX Pro Plugins & Controls,
as well as the ChemINDEX (Index, RXN, NCI & AIDS) databases. ChemOffice
Pro 2008 adds ChemBioDraw Ultra, ChemBio3D Ultra, ChemFinder Pro, ChemNMR,
Name=Struct, ClogP, and the ChemINDEX (Index, RXN, NCI & AIDS) database,
to ChemOffice Std 2008. *(W = Windows Only)
Applications Included
- ChemBioDraw Ultra 11.0
This ultimate chemistry and biology drawing application delivers all
of the industry leading drawing, publishing and analytical features
in ChemDraw combined with the biology features in BioDraw, providing
a complete solution for both chemical structure drawing and analysis
and biological pathway drawing. ChemBioDraw Ultra Chemical structure
analysis tools include 13C and 1H NMR prediction with peak splitting
and highlighting, Struct<=>Name, ChemDraw/Excel, Stoichiometric
analysis., Property predictions Live-Linked to the structure, a Live-Linked
Database Gateway, Fragmentation tools, a TLC plate drawing tool, 3D
structures live-Linked to the 2D structure and more! ChemBioDraw also
offers a number of customization options such as custom Nicknames,
Templates, HotKeys and even newly added ChemBioDraw Themes. Biological
pathway drawing elements include membranes, DNA, enzymes, receptors,
and reaction arrows. tRNA, Ribosomes, Helix Proteins, Golgi Bodies,
G-Proteins, Immunoglobins, and
- 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.
- ChemNMR Pro 11.0
ChemNMR can be used to accurately estimate 13C and 1H (proton) chemical
shifts. The molecule and the spectrum appear in a new window. The
chemical shifts are displayed on the molecule and the spectrum is
linked to the structure so that clicking on a peak in the spectrum
highlights the related fragment on the molecule.
- ChemFinder Ultra 11.0
ChemFinder Ultra is the ultimate database management system for chemical
structure and information databases. Browse, create, search, and update
local or enterprise (Oracle) databases with structural, numeric, and
text data via user-customizable forms, including structural, sub-structural,
and 3D structural queries, as well as linking to related data in sub-forms.
Calculate values for physical properties, view and edit structures
in a variety of modes, automatically create databases and forms for
imported data, export and print. Easily manage saved queries, access
favorite databases, and view database structure via the dockable Explorer
Window. New features include the ability to perform R-Group Analysis,
read Graphic Files from the database, Python programming and improved
Tautomeric searching. ChemFinder Ultra adds CS Oracle Cartridge support
and 3D searching to ChemFinder Pro.
- Struct=Name Pro 11.0
Struct⇔Name contains the leading comprehensive methods for converting
chemical structures into chemical names and names to structures. It
can be used for many types of compounds, including charged compounds
and salts, highly symmetric structures and many other types of inorganic
and organometallics.
- 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.
- CombiChem/Excel Pro 11.0
Build combinatorial libraries in Microsoft Excel using reagents selected
by ChemFinder.
- E-Notebook Ultra 11.0
E-Notebook Ultra 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
and 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.
- ChemScript Pro 11.0
ChemScript allows users to perform multiple calculations or manipulations
on chemical structures in batch mode up to 10,000 operations per day.
Enforce structure orientation, perform template-based normalization,
salt-stripping, generate canonical codes (molecular fingerprints),
perform file format conversions and more.
- 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.
- MestReC Std
MestRe-C Std is a 1D only application for data processing,
visualization and analysis of NMR data. The program provides a variety
of conversion facilities for most NMR spectrometer formats and includes
all the conventional processing, displaying and plotting capabilities
of an NMR program, as well as more advanced processing techniques.
MestReC Std is a 1D only version of MestReC which offers the user basic
processing and analysis capabilities. The full version of MestReC is
available through either the CambridgeSoft online store or directly
through MESTRELAB RESEARCH.
Applications Features
(W) - Feature available on Win only
BioDraw
- Annotations
Store annotations for each element in your drawing. Annotation data ranges
from manually entered text to attached documents, literature references
or links.
- BioArt
A ChemDraw palette of customizable common biochemistry symbols including
membranes, cellular structures and more.
- Drawing Elements
Draw with common pathway elements such as membranes, DNA, enzymes, receptors,
and reaction arrows. tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins,
Immunoglobins, Mitochondrion and more!
- Integration
BioDraw works seamlessly with your other desktop programs so you can
use your pathways in presentations and publications.
- Pathway Diagrams
BioDraw includes drawing tools specifically designed for pathway diagrams;
you can create beautiful pathway diagrams in a matter of minutes.
- Plasmid
Map Tool
Create a plasmid map entering the number of base pairs in the plasmid
map and specifying ranges for regions and locations and labels for markers.
- Rotation & Integration
Rotate BioDraw objects and combine them with chemical structures.
Chem3D
- 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.)
- Automatic Overlay
(W) Select multiple molecules and let Chem3D automatically align them
with a target molecule.
- 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.
- ChemProp
(W) Advanced property parameter including BP, MP and more.
- CLogP
(W) CLogP property server provides the latest methodology for calculationg
n-octanol/water partition coefficients.
- Dihedral Driver
(W) New conformational analysis tool allows the generation of MM2 energy
plots.
- Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display.
- Formal
Charges
(W) Assign Formal Charges to Atoms and Chem3D will generate delocalized
charges automatically.
- GAMESS Interface
(W) Chem3D interface to GAMESS.
(Note: GAMESS application is required. See applications included section
to clarify.)
- Gaussian Interface
(W) Chem3D interface to Gaussian.
(Note: Gaussian application is required. See applications included section
to clarify.)
- Group Labels
(W) Display group labels in the Chem3D model view.
- Hydrogen Bonds
(W) Automatically display hydrogen bonds in the 3D view!
- Kekule / Delocalized
Display Mode
(W) Toggle between dashed line and alternating single-double bond representation
of delocalized and aromatic bonds.
- MM2
(W) Built in support for MM2 to generate realistic 3D structures.
- MMFF94
(W) MMFF94 is a molecular mechanics force-field that supports both organic
molecules and biopolymers. MMFF94 force field provides a richer set of
atom types than MM2.
- Model Explorer
(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.
- Molecular Modeling & Dynamics
(W) Workstation quality molecular modeling.
- 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.
- PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models
while giving a presentation.
- 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.)
- Spectrum Viewer
(W) Display spectral calculation results from Jaguar, Gaussian, and GAMESS
as a graphical display in a separate window.
- Stereo Hardware Support
(W) Use Chem3D with a variety of stereo monitors, shutterglasses, & other
hardware to provide a true 3-dimentional modeling experience.
- Structure
Browser
(W) Allows users to easily scroll through a collection of small molecules
and compare their structures and properties.
ChemDraw
- 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.
- Annotations
Store annotations to include additional reference data for each structure
or object in your drawing. Annotation data ranges from manually entered
text to attached documents, literature references or links.
- Atom Numbering
Add sequential numbering indicators to atoms in a structure.
- BioDraw
Draw biological pathways.
- Chem3D LiveLink
(W) See what structures look like in 3D in a floating window and open
Chem3D with a single click from within ChemDraw.
- ChemDraw/Excel
(W) Use Excel to organize and analyze your chemical data.
- Chemical File
Format
Reading & writing of chemical file formats including spectra & reactions.
- Chemical
Warnings
Mouse-over red box to read error description.
- CLogP
CLogP/CMR provides the latest methodology for calculationg n-octanol/water
partition coefficients and molar refractivity.
- Color Faded Shapes
Shapes can now be filled with a faded color.
- Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
- Database LiveLink
Search CambridgeSoft databases for chemical structures in real time as
you draw.
- Expand Generic Structure
Generate multiple structures from an "abbreviated" generic
structure.
- Floating Character Map
Add special characters from any font instantly to any ChemDraw document.
- Floating
Periodic Table
Element information available at all times with floating periodic table
on the desktop.
- Freehand Drawing Tool
Use the mouse or other pointing device to draw freehand shapes using
this intuitive drawing tool.
- Graphic Display & Image
Adds greater detail to on-screen drawings and saved image files.
- Graphical
File Formats
Import graphics stored in GIF, TIFF, PNG, JPEG, and BMP formats.
- I/Draw
Mode
New compatibility mode allows ChemDraw to look and feel like your legacy
drawing package.
- 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.
- Improved Molecule Clean-up
A completely revised molecule clean up tool rearranges structures in
a more consistent way across a wider spectrum of structure types.
- ISIS-style
Data SGroups
Data can be attached to objects.
- LabArt
Publication-quality EPS glassware art for use within your ChemDraw documents.
- Mass & Other
Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.
- MDL
Molfile
Read and write files in the Molfile format.
- MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings
in any Office document.
- 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.
- New Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle,
dipole, no-go and more.
- Object Specific Settings
Create drawings with different styles in different parts of the document.
- Online
Menu
(W) Draw a structure or model and immediately get online vendor information
ChemACX.Com with the click of a button.
- Polymer Draw
Represent and manipulate polymers in ChemDraw.
- 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.
- Relative Stereochemistry
Allows specification of relationships between groups of stereocenters
smaller than an entire molecule.
- SD File Format Support
Import and export SD files directly from ChemDraw.
- Sequence Tool
Draw peptide or nucleotide sequences using using 1 and 3 letter codes.
The atoms are labeled with amino acid or nucleotide nicknames. The sequences
can be expanded and contracted.
- Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules.
- Stoichiometry
Grid
Automatically track and update stoichiometry data for any user-defined
chemical reaction.
- 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.
- Structure CleanUp
Improves poor drawings.
- Structure Drawing
Draw chemical structures.
- Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical
mouse movements.
- Terminal Carbon Labeling
Automatic display of atom labels on terminal carbon atoms.
- TLC Plate Tool
Customizable and crescent-shaped spots available from TLC tool for reproduction
of TLC plates for inclusion in ChemDraw Documents.
- tPSA
Topological Polar Surface Area (tPSA) provides a fast approximation of
the molecular polar surface area, a useful parameter for prediction of
drug transport properties, which has been show to correlate with human
intestinal absorption and blood-brain barrier penetration.
ChemFinder
- ActiveX Control Boxes
(W) Include third party ActiveX controls on your ChemFinder form.
- Automatic
Form Generation
(W) Automatically build or extend databases
by importing structures from collections of structure files, databases,
SDFiles, or other sources.
- CAL Programming
(W) CAL is a simple programming language, accessible to non-programmers
allows automation, self-running demos, custom operations; includes debugging
features.
- 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.
- Chemical Searching
(W) Search for (sub)structure, similarity, numeric values, text, chemical
formula (including element ranges, element exclusions), date. Support
for tautomers and alt groups.
- Hit List and Query Management
(W) Use a navigation tree to track history of searches between sessions,
allow queries to be rerun or reconstituted; merge lists by drag-and-drop
in tree. Queries color-coded to relate to BioViz plots.
- List Merge
(W) Merge hitlists with any logic: intersect, union, subtract, reverse
subtract.
- Multiple Data Views
(W) View records one at a time, in a table view or a multiform view.
- Python Scripting
(W) Python scripts can be attached to form buttons or trigger events,
can be developed and debugged in the enhanced Script Editor -- now featuring
interactive line-by-line execution -- and output can be displayed in
a new dockable text window subform field aggregate values. Sort on multiple
fields simultaneously.
- Subforms
(W) Link relational data to your main table via subforms.
- Tabbed
Forms
(W) Partition a form into sections using tabbed form pages.
E-Notebook
- Audit Trails
(W) Retain a complete copy of the experiment for each save, including
username and timestamp.
- AutoText
(W) Share prewritten protocols that dynamically add data from the experiment.
- ChemDraw & Stoichiometry
Calculations
(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.
- Configurability
(W) Design forms and add buttons that are tailored to your needs. (multiple-user
configuration only)
- Document Pages
Pages contain Excel spreadsheets, Word documents, ChemDraw drawings,
spectral data, images and PowerPoint slides.
- Extensive Data Types
(W) Notebook pages include ChemDraw reaction schemes, Microsoft Word
and Excel documents, and spectral data using the Galactic Spectral Control.
- Microsoft
Office & Galactic Spectra
(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 noteboo
- Multiple Projects
E-Notebook combines all your notebooks into one. Organize project notebooks
the way you work.
- Retrieval
Search by structure, keyword, dates and other types of data.
- SQL Server
Express 2005
(W) E-Notebook works with SQL Server Express 2005, which has self-tuning
capabilities that respond to changing usage characteristics. The allowed
database size limit is twice the previous limit for MSDE (SQL Server
2000).
System Requirements
- Windows 2000, XP, Vista (32-bit only); Excel add-ins require
MS Excel 2000, 2003, or XP
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