ChemDraw 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.
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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.
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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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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.
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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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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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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 Std 12.0
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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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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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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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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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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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.
|
Chain Tools
Draw both acyclic and snaking chains.
|
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.
|
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.
|
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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.
|
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.
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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!
|
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.
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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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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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