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.
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Annotations
Store annotations for each element in your drawing. Annotation data ranges from manually entered text to attached documents, literature references or links.
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Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more.
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Atom Numbering
Add sequential numbering indicators to atoms in a structure.
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BioArt
A ChemDraw palette of customizable common biochemistry symbols including membranes, cellular structures and more.
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BioDraw
Draw biological pathways.
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Chain Tools
Draw both acyclic and snaking chains.
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Chem3D HotLink
(W) See what structures look like in 3D in a floating window and open Chem3D with a single click from within ChemDraw.
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Chemical File Format
Reading & writing of chemical file formats including spectra & reactions.
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Chemical Warnings
Mouse-over red box to read error description.
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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.
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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.
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CLogP
CLogP/CMR provides the latest methodology for calculationg n-octanol/water partition coefficients and molar refractivity.
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Color Faded Shapes
Shapes can now be filled with a faded color.
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Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
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Database HotLink
Search CambridgeSoft databases for chemical structures in real time as you draw.
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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!
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Expand Generic Structure
Generate multiple structures from an "abbreviated" generic structure.
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Floating Character Map
Add special characters from any font instantly to any ChemDraw document.
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Floating Periodic Table
Element information available at all times with floating periodic table on the desktop.
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Freehand Drawing Tool
Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool.
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Graphic Display & Image
Adds greater detail to on-screen drawings and saved image files.
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Graphical File Formats
Import graphics stored in GIF, TIFF, PNG, JPEG, and BMP formats.
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High Color Documents
Documents can contain over 16 million colors.
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High Color Templates
A set of high color pathway and element templates.
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I/Draw Mode
New compatibility mode allows ChemDraw to look and feel like your legacy drawing package.
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Integration
BioDraw works seamlessly with your other desktop programs so you can use your pathways in presentations and publications.
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ISIS-style Data SGroups
Data can be attached to objects.
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LabArt
Publication-quality EPS glassware art for use within your ChemDraw documents.
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Mass & Other Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.
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MDL Molfile
Read and write files in the Molfile format.
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MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.
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Multi-Page Docs
Create multiple page documents and posters within a single ChemDraw file.
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Object Specific Settings
Create drawings with different styles in different parts of the document.
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Online Menu
(W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button.
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Pathway Diagrams
BioDraw includes drawing tools specifically designed for pathway diagrams; you can create beautiful pathway diagrams in a matter of minutes.
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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.
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Polymer Draw
Represent and manipulate polymers in ChemDraw.
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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.
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Relative Stereochemistry
Allows specification of relationships between groups of stereocenters smaller than an entire molecule.
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Rotation & Integration
Rotate BioDraw objects and combine them with chemical structures.
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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.
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SD File Format Support
Import and export SD files directly from ChemDraw.
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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.
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Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules.
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Stoichiometry Grid
Automatically track and update stoichiometry data for any user-defined chemical reaction.
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Structure Drawing
Draw chemical structures.
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Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements.
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Terminal Carbon Labeling
Automatic display of atom labels on terminal carbon atoms.
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TLC Plate Tool
Customizable and crescent-shaped spots available from TLC tool for reproduction of TLC plates for inclusion in ChemDraw Documents.
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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.
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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.)
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Automatic Overlay
(W) Select multiple molecules and let Chem3D automatically align them with a target molecule.
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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.
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ChemProp
(W) Advanced property parameter including BP, MP and more.
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CLogP
(W) CLogP property server provides the latest methodology for calculationg n-octanol/water partition coefficients.
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Dihedral Driver
(W) New conformational analysis tool allows the generation of MM2 energy plots.
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Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display.
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Formal Charges
(W) Assign Formal Charges to Atoms and Chem3D will generate delocalized charges automatically.
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GAMESS Interface
(W) Chem3D interface to GAMESS.
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Group Labels
(W) Display group labels in the Chem3D model view.
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Hydrogen Bonds
(W) Automatically display hydrogen bonds in the 3D view!
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Kekule / Delocalized Display Mode
(W) Toggle between dashed line and alternating single-double bond representation of delocalized and aromatic bonds.
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MM2
(W) Built in support for MM2 to generate realistic 3D structures.
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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.
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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.
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Molecular Modeling & Dynamics
(W) Workstation quality molecular modeling.
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MOPAC Interface
(W) Chem3D interface to MOPAC. (Note: MOPAC application is required. See applications included section to clarify.)
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Multiprocessor Support
Enable multiprocessor support in MMFF94 calculations.
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Partial Surfaces
(W) Generate and display partial surfaces for protein active sites.
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PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models while giving a presentation.
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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.)
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Spectrum Viewer
(W) Display spectral calculation results from Jaguar, Gaussian, and GAMESS as a graphical display in a separate window.
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Stereo Hardware Support
(W) Use Chem3D with a variety of stereo monitors, shutterglasses, & other hardware to provide a true 3-dimentional modeling experience.
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Stochastic Conformational Analysis
Determination of low-energy minima of a molecule using a stochastic conformational jump procedure.
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Structure Browser
(W) Allows users to easily scroll through a collection of small molecules and compare their structures and properties.
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ChemBioFinder Ultra 12.0
3D Query/Finder
(W) Query ChemFinder database by 3D parameter.
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ActiveX Control Boxes
(W) Include third party ActiveX controls on your form.
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Automatic Form Generation
(W) Automatically build or extend databases by importing structures from collections of structure files, databases, SDFiles, or other sources.
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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.
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CAL Programming
(W) CAL is a simple programming language, accessible to non-programmers allows automation, self-running demos, custom operations; includes debugging features.
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ChemBioFinder/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.
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ChemFinder/Oracle
(W) Connects directly to Oracle, and carries out all searches and transactions on the server.
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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.
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Clustering Analysis
Discover similarities within sets of compounds and properties.
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Compound Profiles
(W) Visually compare and rank structures based on values of selected properties and the cost profile associated with each property.
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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.
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List Merge
(W) Merge hitlists with any logic: intersect, union, subtract, reverse subtract.
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Multiple Data Views
(W) View records one at a time, in a table view or a multiform view.
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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.
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Plotting: Statistical Analysis and Customization
(W) Perform statistical analyses and display the results on the plot, modify the shape and color of plot points, add comment boxes, change axis label text and background color.
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Plotting: Subform Plots
(W) Include miniature plots inside subform boxes for quick visualization of subform data on a per-compound basis.
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Property Generation
(W) Generate many types of physical property; populate database fields automatically or generate on-the-fly per record.
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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.
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Standardized Handling of Implict Hydrogens
Conforms to industry standards.
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Subforms
(W) Link relational data to your main table via subforms.
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Support for Oracle and the CambridgeSoft Oracle Cartridge
(W) Direct high-speed connection to Oracle and CS Cartridge databases.
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Tabbed Forms
(W) Partition a form into sections using tabbed form pages.
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E-Notebook Pro 12.0
Audit Trails
(W) Retain a complete copy of the experiment for each save, including username and timestamp.
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AutoText
(W) Share prewritten protocols that dynamically add data from the experiment.
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Batch Explorer
View a reaction tree showing successors and predecessors of a selected batch or compound.
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Configurability
(W) Design forms and add buttons that are tailored to your needs. (multiple-user configuration only)
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Document Pages
Pages contain Excel spreadsheets, Word documents, ChemDraw drawings, spectral data, images and PowerPoint slides.
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Extensive Data Types
(W) Notebook pages include ChemDraw reaction schemes, Microsoft Word and Excel documents, and spectral data using the Galactic Spectral Control.
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Full Text Search
Search contents of collections, documents, and styled text fields.
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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
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Multiple Projects
E-Notebook combines all your notebooks into one. Organize project notebooks the way you work.
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Offline Mode
Work offline and synchronize later.
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Retrieval
Search by structure, keyword, dates and other types of data.
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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).
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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.
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ChemScript Pro 12.0
ChemScript Pro
Apply chemical business rules to chemical objects by using customizable scripts
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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.
|
Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more.
|
Atom Numbering
Add sequential numbering indicators to atoms in a structure.
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Chain Tools
Draw both acyclic and snaking chains.
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Chemical File Format
Reading & writing of chemical file formats including spectra & reactions.
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Chemical Warnings
Mouse-over red box to read error description.
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Color Faded Shapes
Shapes can now be filled with a faded color.
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Custom Templates & Nicknames
Ability to create & edit templates & nicknames.
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Expand Generic Structure
Generate multiple structures from an "abbreviated" generic structure.
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Floating Character Map
Add special characters from any font instantly to any ChemDraw document.
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Floating Periodic Table
Element information available at all times with floating periodic table on the desktop.
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Freehand Drawing Tool
Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool.
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Graphic Display & Image
Adds greater detail to on-screen drawings and saved image files.
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Graphical File Formats
Import graphics stored in GIF, TIFF, PNG, JPEG, and BMP formats.
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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.
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LabArt
Publication-quality EPS glassware art for use within your ChemDraw documents.
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Mass & Other Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.
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MDL Molfile
Read and write files in the Molfile format.
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MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.
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Multi-Page Docs
Create multiple page documents and posters within a single ChemDraw file.
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Object Specific Settings
Create drawings with different styles in different parts of the document.
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Online Menu
(W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button.
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Polymer Draw
Represent and manipulate polymers in ChemDraw.
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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.
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Relative Stereochemistry
Allows specification of relationships between groups of stereocenters smaller than an entire molecule.
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SD File Format Support
Import and export SD files directly from ChemDraw.
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Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules.
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Structure Drawing
Draw chemical structures.
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Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements.
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Terminal Carbon Labeling
Automatic display of atom labels on terminal carbon atoms.
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TLC Plate Tool
Customizable and crescent-shaped spots available from TLC tool for reproduction of TLC plates for inclusion in ChemDraw Documents.
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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.
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Chem3D ActiveX Pro 12.0
Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display.
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Group Labels
(W) Display group labels in the Chem3D model view.
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Hydrogen Bonds
(W) Automatically display hydrogen bonds in the 3D view!
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Kekule / Delocalized Display Mode
(W) Toggle between dashed line and alternating single-double bond representation of delocalized and aromatic bonds.
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PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models while giving a presentation.
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ChemDraw/Excel Pro 12.0
ChemDraw/Excel
(W) Use Excel to organize and analyze your chemical data.
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Name>Struct/Excel
(W) Generate a ChemDraw structure in MS Excel by typing in systematic chemical names for most substances.
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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.
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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.
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Struct=Name Pro 12.0
Name>Struct
Produce structures from systematic and common chemical structure names. It can be used for many types of compounds, including charged compounds and salts, highly symmetric structures and many other types of organic, inorganic and organometallics.
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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.
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MNova Lite
1D NMR Processing
Process and analyze 1D NMR FID (free induction decay) files.
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Gaussian Interface 12.0
Gaussian Interface
(W) Chem3D interface to Gaussian.
(Note: Gaussian application is required. See applications included section to clarify.)
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