ChemOffice Pro 2010 Suite
 This
premier chemistry suite includes ChemBioDraw Ultra 12.0, MNova Std/Lite,
ChemScript, ChemBio3D Ultra 12.0, ChemBioFinder Pro 12.0, ChemDraw/Excel,
and E-Notebook Ultra 12.0, the ChemDraw and Chem3D ActiveX Pro Plugins & Controls,
as well as the ChemINDEX (Index, RXN, NCI & AIDS) databases.
ChemOffice Pro 2010 features now available:
- E-Notebook
- Offline mode -- work offline and sync later
- Full text search -- search contents of collections, documents,
and styled text fields
- ChemBioDraw
- Sequence Tool with disulphide bonds, sequence wrapping
and shaping
- Struct=Name enhanced support for fused and bridged ring
systems
- Name=Struct ambiguous name recognition
- Documents can contain over
16 million colors
- ChemBio3D
- Stochastic conformational sampling
ChemOffice Pro 2010 adds ChemBioDraw Ultra, ChemBio3D Ultra, ChemBioFinder
Pro, ChemNMR, Name=Struct, ClogP, and the ChemINDEX (Index, RXN, NCI & AIDS)
database, to ChemOffice Std 2010.
(W = Windows Only)
Applications Included
- ChemBioDraw Ultra 12.0
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.
- ChemBio3D Ultra 12.0
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, Stochastic conformational
sampling, 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.
- ChemBioFinder Pro 12.0
ChemBioFinder Pro is a powerful database management system appropriate
for anyone who works with chemical information and chemical structure
databases. Queries can be comprised of Chemical structures and substructures,
numeric ranges with physical properties and other data contained in
the database. Users can automatically create databases and forms for
imported data, Create and search over sub-forms. Calculate a variety
of properties for chemical structures in the database. ChemBioFinder
Pro also supports CAL and Python programming languages. Features include
the ability to perform R-Group Analysis, read Graphic Files from the
database and improved Tautomeric searching.
- E-Notebook Pro 12.0
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 perform 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. New features include offline mode, full text search,
and batch explorer.
- ChemDraw ActiveX/Plugin Pro 12.0
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 12.0
This premier ActiveX Control/Plugin allows you to view & publish
3D structures online and in MS PowerPoint presentations. 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.
- ChemDraw/Excel Pro 12.0
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.
- ChemNMR Pro 12.0
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.
- Struct=Name Pro 12.0
Generate systematic names for chemical structures with support for
the Cahn-Ingold-Prelog rules for stereochemistry. Struct = Name produces
names from structures and structures from names. Chemical naming includes
support for many more types of compounds, including charged compounds
and salts, highly symmetric structures, many types of inorganic and
organometallic compounds, and others. This product is ChemDraw Std
plus the Struct = Name feature.
- ChemScript Pro 12.0
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.
- MNova Std/Lite
MestRe Nova 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. MestRe Nova Std/Lite
is a 1D only version of MestRe Nova which offers the user basic processing
and analysis capabilities. The full version of MestRe Nova (MNova,
MestReNova) is available through either the PerkinElmer Informatics online store
or directly through MESTRELAB RESEARCH.
Applications Features
(W) - Feature available on Win only
ChemBioDraw Ultra 12.0
- 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.
- Annotations
Store annotations for each element 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.
- BioArt
A ChemDraw palette of customizable common biochemistry symbols including
membranes, cellular structures and more.
- BioDraw
Draw biological pathways.
- Chem3D HotLink
(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.
- ChemNMR
Predict Proton NMR spectra with splitting patterns. Also predict Carbon-13
NMR spectra. Spectra and peaks are linked to the structure for clear
interpretation.
- ChemNMR User Proton Shift Database
Users can add their own shift correction data for proton prediction which
can supplement the existing data used by the ChemNMR algorithm.
- CLogP
CLogP/CMR provides the latest methodology for calculationg n-octanol/water
partition coefficients and molar refractivity.
- CLogP
(W) CLogP property server provides the latest methodology for calculationg
n-octanol/water partition coefficients.
- Color Faded Shapes
Shapes can now be filled with a faded color.
- Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
- Database HotLink
Search PerkinElmer Informatics databases for chemical structures in real time as
you draw.
- 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!
- 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.
- High
Color Templates
A set of high color pathway and element templates.
- High-color Documents
Documents can contain over 16 million colors.
- I/Draw Mode
New compatibility mode allows ChemDraw to look and feel like your legacy
drawing package.
- Integration
BioDraw works seamlessly with your other desktop programs so you can
use your pathways in presentations and publications.
- 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.
- 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.
- Polymer
Draw
Represent and manipulate polymers in ChemDraw.
- Properties HotLink
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.
- Rotation & Integration
Rotate BioDraw objects and combine them with chemical structures.
- Rotation
about Arbitrary Centers
Change the center of rotation using adjustment handle on the Lasso and
Marquee tools. Rotation will now be centered on the selected origin.
- 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.
ChemBio3D Ultra
12.0
- 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 HotLink
(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.
- 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.)
- Multiprocessor Support
Enable multiprocessor support in MMFF94 calculations.
- 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.
- Stochastic
Conformational Analysis
Determination of low-energy minima of a molecule using a stochastic conformational
jump procedure.
- Structure Browser
(W) Allows users to easily scroll through a collection of small molecules
and compare their structures and properties.
ChemBioFinder Pro 12.0
- ActiveX Control Boxes
(W) Include third party ActiveX controls on your 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 ChemBioViz 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
Python scripts can be written to automate the application and can be
attached to buttons on the form or to database trigger events. User the
enhanced Script Editor to develop and debug -- now featuring interactive
line-by-line execution -- and display output in a new dockable text window.
- Standardized
Handling of Implict Hydrogens
Conforms to industry standards.
- 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 Pro
12.0
- Audit Trails
(W) Retain a complete copy of the experiment for each save, including
username and timestamp.
- Audit Trails
Changes to locations, containers and compounds are logged to the database.
- AutoText
(W) Share prewritten protocols that dynamically add data from the experiment.
- Batch
Explorer
View a reaction tree showing successors and predecessors of a selected
batch or compound.
- 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.
- Full
Text Search
Search contents of collections, documents, and styled text fields.
- 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.
- Offline Mode
Work offline and synchronize later.
- 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).
ChemDraw
ActiveX/Plugin Pro 12.0
- 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.
- Annotations
Store annotations for each element 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.
- Chemical
File Format
Reading & writing of chemical file formats including spectra & reactions.
- Chemical
Warnings
Mouse-over red box to read error description.
- Color Faded Shapes
Shapes can now be filled with a faded color.
- Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
- 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.
- 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.
- 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 HotLink
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.
- Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules.
- 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.
Chem3D ActiveX
Pro 12.0
- Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display.
- 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.
- PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models
while giving a presentation.
ChemDraw/Excel Pro 12.0
- ChemDraw/Excel
(W) Use Excel to organize and analyze your chemical data.
- Name=Struct/Excel
(W) Generate a ChemDraw structure in MS Excel by typing in systematic
chemical names for most substances.
ChemNMR Pro 12.0
- ChemNMR
Predict Proton NMR spectra with splitting patterns. Also predict Carbon-13
NMR spectra. Spectra and peaks are linked to the structure for clear
interpretation.
- ChemNMR User Proton Shift Database
Users can add their own shift correction data for proton prediction which
can supplement the existing data used by the ChemNMR algorithm.
Struct=Name
Pro 12.0
- 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.
System Requirements
- Windows 2000, XP, Vista (32-bit only); Excel add-ins require
MS Excel 2000, 2003, or XP
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