ChemDoodle 3.3.0
Size: 22 MB
Developer: iChemLabs
License / Price: Trial / USD 59.95
Operating Systems: Windows XP / Vista / Vista64 / 7 / 7 x64
An application that can help you create chemical structures.
ChemDoodle is a fully functional chemical drawing application that works on every operating system! In addition to being multiplatform, ChemDoodle also natively reads and writes many common file formats including ChemDraw's CDX and CDXML.
You can write ChemDraw files for submitting journal manuscripts or share these files with your rich friends who purchased ChemDraw. No longer do you need to worry if your colleages are using compatible applications or operating systems.
One of the great things about ChemDoodle is that it's not just a program for creating chemical structures or molecule drawings. It is a 2D chemical environment where anything chemistry can be incorporated. ChemDoodle's widgets are a great example of this freedom. These mini-applications perform various unique tasks such as interfacing with databases, generating and interpreting SMILES strings, and simulating multiplets.
The output from these widgets can be easily dragged right onto your document. We are always looking to add more widgets, so you may be pleasantly surprised after updating ChemDoodle, to see a new widget that appears for you to play with!
In addition to ChemDoodle's own format (ICL) and chemical document settings format (CDS), ChemDoodle can flawlessly read and write ChemDraw's CDX and CDXML, MDL MOLFiles and SDFiles, and chemical markup language (CML). If journal's do not accept ChemDoodle's ICL format or any of the vector image formats provided, just save your document as a ChemDraw file and submit that as well.
All mutually inclusive objects, including shapes and images, can be saved with almost all properties preserved. This story at iChemLabs describes the reading and writing of ChemDraw files in more detail. You may also want to use structures created in ChemDoodle with other chemical applications.
ChemDoodle fully supports MDL's formats, which have become the standard chemical file formats, and almost every chemical application will be able to load them. A wide range of native formats allows for ease in using ChemDoodle for any task.
ChemDoodle description
Here are some key features of "ChemDoodle":
An Intuitive Interface:
- Aesthetics is important to us. We have developed an interface that is not only intuitive, but pleasing to use.
Adaptable Controls:
- Adapts to your style of drawing, down to how mouse clicks place bonds.
Tabbed Doodle Sheets:
- Tabbed sheets allow you to manage multiple documents without sifting through multiple windows.
Document Formatting:
- A complete document formatting system with preset formats such as ACS Document 1996.
Abundant Preferences:
- Total control over the look of your structures, shapes and figures.
Error Checking:
- Checks for structure errors such as misspelled labels or overfilled valences.
Standard File Formats:
- Comprehensive support for ChemDraw's CDX and CDXML, MDL's MOLFile and SDFile, and CML.
Image Support:
- Save as numerous bitmap and vector images including PNG, JPEG, PDF, PS and SVG.
Save Online:
- Compatible with your iChemLabs account to easily save and transfer files online.
Periodic Table of Elements:
- A fully customizable and interactive periodic table of elements for demonstrations and printing.
Extensible Libraries:
- Contains abbreviation and template libraries you can add to.
Shape Objects:
- Many types of shapes can be added, such as arrows and brackets; most shape properties are customizable.
Widgets:
- ChemDoodle contains mini applications that provide very powerful functions without cluttering the window.
Statistic Tracking:
- Keeps track of your drawn objects and documents, so you may easily manage them.
Undo/Redo History:
- Records your entire action history in a list; click on an item to jump back and forth in time to that action.
System Clipboard:
- Advanced functions for working with the system clipboard and sharing data with other applications.
Multiplet Simulations:
- Quickly simulate magnetic resonance multiplets and include them in your figures with ease.
Easy Templates:
- Includes a widget specifically designed to make structure templates easy to manage and use.
Structure Databases:
- Linked with iChemLabs' chemical structure databases to provide access to common compounds.
SMILES Strings:
- Interprets and generates SMILES strings with an intuitive widget that also checks your input for errors.
Affine Transformations:
- Advanced affine transformations to easily scale, rotate, translate and flip structures and figures.
Bond Types:
- Currently 20 unique bond types to choose from; more will be added in future updates.
Text Areas with HTML:
- Text area objects can parse and correct HTML for easy incorporation of lists and tables.
Drawing Guides:
- Choose from several types of drawing guidelines to help you draw accurate structures.
Thorough Tutorial:
- An efficient and thorough tutorial, with many pictures, to quickly show you how to use our application.
Auto Update:
- Will check for new content and automatically update if you choose; no need to redownload or reinstall.
Tailored Java:
- A Java program that looks and performs identically to other operating system specific applications!
Requirements:
- Java 1.5 or more recent
- A minimum of 512MB memory; 1GB recommended.
- A minimum resolution of 1024x768 is recommended.
Limitations:
- 30 days trial
- Save, Save image As.. and Convert functions are not available
- Watermark at the top of Doodle Sheet and on the output
- Comments are not saved with vector images
- Templates cannot be saved
What's New in This Release:
Additions:
- Atom label text formatting. ChemDoodle’s default atom label formatting, based on chemical interpretation, can now be overriden. You now have full control to completely format all aspects of the atom label text, from styling, to color and alignment. While very complex labels can now be drawn, this is mainly to allow access to italics and superscripts so common labels can now be easily drawn, such as "iPr”, "iPr” and "R10” for example.
- Rendered bond merging for aesthetic bond joins. Wedge-Single, Wedge-Wedge, Wedge-Bold, and Bold-Bold bonds now neatly fit together.
New molecular descriptors are calculated:
- Degree of Unsaturation
- Rotatable Bond Count
- Branching Index
- Chi Molecular Connectivity Indices – Up to third order for both simple and valence models.
- Kappa Shape Indices – Up to third order for both simple and alpha models.
- Critical Pressure
- Critical Temperature
- Critical Volume
- Enthalpy of Formation (ideal gas at 298K)
- Enthalpy of Fusion
- Enthalpy of Vaporization (at Tb)
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