ChemBioViz Ultra 12.0 Suite
This premier visualization and analysis suite includes ChemBioFinder Ultra 12.0 (with ChemBioViz Pro 12.0), ChemBioDraw Ultra 12.0, ChemBio3D Ultra 12.0, ChemBio3D interfaces to Schrödinger’s Jaguar and Gaussian, GAMESS Pro 12.0, ChemDraw/Excel and CombiChem/Excel, STATISTICA Base, MNova Std/Lite, the ChemDraw and Chem3D ActiveX Pro Plugins & Controls, and ChemScript Pro 12.0.
ChemBioViz Ultra 12.0 adds ChemBioFinder Ultra, ChemBioDraw Ultra, ChemBio3D Ultra, ChemBio3D interfaces to Schrödinger’s Jaguar and Gaussian, ChemDraw/Excel and CombiChem/Excel, ChemNMR, Name=Struct, ClogP, and ChemScript Pro to ChemBioViz Pro 12.0.
ChemBioViz Ultra 12.0 provides the premier ChemBioOffice 2010 applications in a tightly integrated visualization suite, allowing users to visualize and analyze their structures and data graphically, and identify trends and correlations within subsets of data. Retrieve or search for a set of compounds, choose the data you want to see, whether it is biological test results, physical property values calculated automatically or prices in a catalog, and ChemBioViz will generate an interactive window showing a scatterplot, histogram, or other useful data graphic. Show Property predictions Live-Linked to the structure, Fragmentation tools, 3D structures Live-Linked to the 2D structure and more!
ChemBioViz Ultra 12.0 features now available:
- 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
- High colour biological element and pathway templates
- ChemBio3D
- Stochastic conformational sampling
- ChemBioFinder/ChemBioViz
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.
- ChemBioViz Pro 12.0
ChemBioViz Pro is a rich toolkit for visualizing numeric data right in ChemBioFinder. Calculate and display structure activity relationships, clustering relationships, and statistical data, including histograms, scatter, logarithmic plots, dendrograms. Descriptive statistics include minimum, maximum, mean, median, standard deviation and more. Create Compound Profiles and visually compare and rank structures based on values of selected properties and the cost profile associated with each property. Now create plots within ChemBioFinder sub-forms!
- ChemBioFinder Ultra 12.0
ChemBioFinder 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. Features include the ability to perform R-Group Analysis, read Graphic Files from the database, Python programming and improved Tautomeric searching. ChemBioFinder Ultra adds CS Oracle Cartridge support and 3D searching to ChemBioFinder Pro.
- 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.
- STATISTICA Base
STATISTICA Base (a stand-alone product) - offers a comprehensive set of essential statistics in a user-friendly package and all the performance, power, and ease of use of the STATISTICA technology.
- 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 Windows 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.
- Atom Numbering
Add sequential numbering indicators to atoms in a structure.
- BioArt
A ChemDraw palette of customisable common biochemistry symbols including membranes, cellular structures and more.
- BioDraw
Draw biological pathways.
- Chem3D HotLink View demo clip of this feature
(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 organise and analyse your chemical data.
- Chemical File Format
Reading & writing of chemical file formats including spectra & reactions.
- Chemical Warnings View demo clip of this feature
Mouse-over red box to read error description.
- ChemNMR View demo clip of this feature
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
(W) CLogP property server provides the latest methodology for calculationg n-octanol/water partition coefficients.
- Colour Faded Shapes
Shapes can now be filled with a faded colour.
- Custom Templates & Nicknames View demo clip of this feature
Ability to create & edit templates & nicknames
- Database HotLink View demo clip of this feature
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 View demo clip of this feature
Generate multiple structures from an "abbreviated" generic structure.
- Floating Character Map View demo clip of this feature
Add special characters from any font instantly to any ChemDraw document.
- Floating Periodic Table View demo clip of this feature
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 Colour Templates
A set of high colour pathway and element templates.
- High-colour Documents
Documents can contain over 16 million colours.
- 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 View demo clip of this feature
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 Centres
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 View demo clip of this feature
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 View demo clip of this feature
Automatically track and update stoichiometry data for any user-defined chemical reaction.
- Struct=Name View demo clip of this feature
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 Labelling
Automatic display of atom labels on terminal carbon atoms.
- TLC Plate Tool View demo clip of this feature
Customisable 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 View demo clip of this feature
(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 View demo clip of this feature
(W) New conformational analysis tool allows the generation of MM2 energy plots.
- Enhanced Graphics View demo clip of this feature
(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 View demo clip of this feature
(W) Automatically display hydrogen bonds in the 3D view!
- Kekule/Delocalised 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 View demo clip of this feature
(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 Modelling & Dynamics
(W) Workstation quality molecular modelling.
- MOPAC Interface View demo clip of this feature
(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 View demo clip of this feature
(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 Ultra 12.0
- 3D Query/Finder
(W) Query ChemFinder database by 3D parameter.
- 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.
- BioViz View demo clip of this feature
(W) The bio visualisation 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.
- 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.
- ChemFinder/Oracle
(W) Connects directly to Oracle, and carries out all searches and transactions on the server.
- 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.
- Clustering Analysis
Discover similarities within sets of compounds and properties.
- Compound Profiles
(W) Visually compare and rank structures based on values of selected properties and the cost profile associated with each property.
- 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.
- Plotting
(W) Plot one or two variables with a variety of plotting options. Hover over a point to view the corresponding chemical structure. Filter displayed points by any numeric variable using a slider control.
- Plotting: Statistical Analysis and Customisation
(W) Perform statistical analyses and display the results on the plot, modify the shape and colour of plot points, add comment boxes, change axis label text and background colour.
- Plotting: Subform Plots
(W) Include miniature plots inside subform boxes for quick visualisation of subform data on a per-compound basis.
- Property Generation
(W) Generate many types of physical property; populate database fields automatically or generate on-the-fly per record.
- 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.
- Support for Oracle and the PerkinElmer Informatics Oracle Cartridge
(W) Direct high-speed connection to Oracle and CS Cartridge databases.
- Tabbed Forms
(W) Partition a form into sections using tabbed form pages.
- 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 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.
- Colour Faded Shapes
Shapes can now be filled with a faded colour.
- Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
- Expand Generic Structure View demo clip of this feature
Generate multiple structures from an "abbreviated" generic structure.
- Floating Character Map View demo clip of this feature
Add special characters from any font instantly to any ChemDraw document.
- Floating Periodic Table View demo clip of this feature
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 View demo clip of this feature
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 Labelling
Automatic display of atom labels on terminal carbon atoms.
- TLC Plate Tool View demo clip of this feature
Customisable 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/Delocalised 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 organise and analyse 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
- ChemNMRView demo clip of this feature
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 View demo clip of this feature
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.
- Gaussian Interface 12.0
- Gaussian Interface
(W) Chem3D interface to Gaussian.
(Note: Gaussian application is required. See applications included section to clarify.)
System Requirements
Windows 2000 SP4 (NOT supported for E-Notebook in ChemBioOffice 2010), XP Pro SP2 (32 bit only), Vista Business and Ultimate (32 bit only); MS Office 2000 (NOT supported by ChemDraw for Excel and Combi for Excel add-ins or E-Notebook in ChemOffice 2010), MS Office XP, MS Office 2003, MS Office 2007;
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