Version History

1.2.1

June 29, 2008

Additions

  1. New advanced methods for creating, setting, and altering chemical document settings and formats. Bond preferences have been redone with many more options and are all 100% accurate. Preferences are now document dependent and will be retained when saved or when switching between tabs. Font and sheet size are now saved with preferences. To find out more, click here.
  2. Added many chemical document formats including: ACS Document 1996, Helvetica Chimica Acta, RSC (1 and 2 Columns), and many others.
  3. Doodle Sheets can now be resized.
  4. Added more template packs: Cycloalkanes, Functional Groups, Hexoses, Polycycles, Stereocenters and more Ring Conformers. A separator now appears between official and unofficial template packs.
  5. Drag and drop has now been implemented. To find out more, click here.
  6. Radicals have been fixed, and are now separate from charge decorations. Radical properties can be changed in the Preferences menu, and radicals now automatically orient themselves according to the angle from the parent atom.
  7. New advanced affine transforms have been included. The added arbitrary rotate and advanced scaling functions are precise and intuitive. To find out more, click here.
  8. New menu items have been added including (not mentioned elsewhere): Clear, Purge History, Close and Close Others.
  9. Dragging slightly outside of the Doodle Sheet will cause the scroll bars to scroll, if appropriate.
  10. Added circular atom guides in the View menu that draw circular guides around atoms with a radius equal to the bond length.
  11. Base64 encoding is now used to embed images in ChemDoodle Documents. This allows for larger files to be embedded, and therefore the size restriction has been removed.
  12. Widget buttons now display tool tips.
  13. Added a new Purchase menu for easy access to the Permanently Activate ChemDoodle menu item. This menu disappears after ChemDoodle is permanently activated.
  14. Added a new filetype and icon for ChemDoodle Chemical Document Settings Files (.cds).

Fixes

  1. Sliders in Preferences now contain a number field, and the units can be changed.
  2. Fixed bug where scale edges in the Multiplet Widget were incorrectly calculated when a simulation was showing.
  3. SMILES Widget now displays an appropriate message when empty content is input.
  4. MolGrabber LITE Widget and SMILES Widget lists have been improved for easier reading.
  5. Template Widget no longer loses focus when traversing template lists.
  6. Symbols Widget now works with label objects.
  7. Label objects can now be edited by double-clicking on them.
  8. Shift now properly locks the aspect ratio for all shapes when resizing or placing, except for lines. Lines will align vertically or horizontally when shift is held. Shift now causes the screen to update for immediate feedback.
  9. Fixed problem where rounding errors would occur when editing objects at scales other than 100%.
  10. Fixed small bug where the cyclopropane button actually places cyclobutanes.
  11. Cut/copy/paste and undo/redo buttons and menu items have been overhauled so that they remain consistent. Paste now always appears in the right-click menu if there is something to paste. Images can be directly copied to the clipboard. Undoing the "New Doodle Sheet" item in the History widget no longer removes it.
  12. Radicals now appear properly.
  13. Fixed problem where HTML areas were not being properly read from save files.
  14. Fixed problem when saving transparent images, where the transparent property was not being set.
  15. Fixed problem where documents beginning with "Untitled" could be duplicated in the system.
  16. The appropriate tab will be selected when prompted to save a file that is not the currently selected tab.
  17. Fixed problem where closing a tab also closed the tab to its right.
  18. Fixed problem where Unacceptable Oxidation State warnings lingered even after they were addressed.
  19. Fixed message that was displayed when checking for updates could not continue because ChemDoodle could not connect to the internet. Added a timeout to URL connections. Improved internet connection errors.
  20. Fixed problem where Preferences dialog did not appear when requested to in message popups.
  21. Splash screen now notes when OpenBabel is queried.
  22. Template menu items no longer appear if shapes are selected.
  23. Improved the window shrinking special effect when windows are hidden.
  24. Lasso modes are now appropriately handled when switching between tabs.
  25. Fixed minor graphical and textual inconsistencies. Improved the layouts of most dialogs.
  26. Fixed minor errors.

1.2.0

May 23, 2008

Additions

  1. Added a brand new widget, Multiplet Tool. This widget simulates and displays multiplets and their splitting trees. Both ESR and NMR can be simulated based on input parameters. Both Gaussian and Lorentzian linewidths can be used. Spectra can be displayed in the function, the first derivative or the second derivative. A slider panel is included for easy tweaking of the parameters when fitting. Everything is customizable.
  2. A new Label shape has been added. Unlike text or HTML areas, the label has no border or background, and automatically fits its text. Use these with ease for figure titles, equation labels for reactions, etc.
  3. The display of textual atom labels has been completely redone. Support for styles such as subscript and superscript are now independent of font. Centering of the labels has also been improved. In addition, the Preference menu now has a new property for atom label vertical alignment. If the chosen font has unconventional ascents or descents from the font baseline, use this property to adjust the vertical alignment.
  4. A unicode font is now provided, so that all systems can support the characters displayed in the Symbols Widget.
  5. When adding carbon chains, the preview now looks exactly like the product.
  6. ChemDoodle can now determine the filetype of an input file, and will describe errors that occur if unrecognized filetypes are opened.
  7. Bitmap image support has been standardized and greatly improved. ChemDoodle will discribe how to use images that are not of the recognized filetypes.
  8. Image components can now be directly copied to the system clipboard with a right-menu function.
  9. CSS can now be easily applied to HTML areas by selecting the appropriate right-menu function. Additional CSS files can be added to the ChemDoodle/settings/css folder.
  10. Templates can now be separated into groups. These templates are located in the ChemDoodle/settings/templates folder for easy inclusion and distribution.
  11. Added more abbreviations to the Symbols Widget.

Fixes

  1. The registration of Windows filetypes has been fixed. Now, filetypes associated with ChemDoodle display their appropriate icon, open in ChemDoodle when double-clicked, and have appropriately defined descriptions and MIME-types.
  2. Symbol Widget characters now correctly fit in their buttons.
  3. Carbon chain preview now correctly displays the number of bonds being added if starting on an unsubstituted carbon.
  4. Error dialogs now fit details better.
  5. Bicubic image scaling is better for rotations, and this is now stated in the Preferences menu.
  6. Periodic Table now greyscales when an element is selected, instead of blurring.
  7. The splashscreen progress is more thorough.
  8. Message dialogs now allow for buttons and other components to obtain focus.
  9. The mouse position refreshes after a right-menu has been closed.
  10. Landscape documents now reopen properly.
  11. The Periodic Table's Electrons checkbox now properly displays the Bohr electron configurations on the right side.
  12. README.txt and tutorial have been updated.
  13. Fixed concurrent modification error when saving while overriding a currently opened file.
  14. Subscripts are now properly displayed in the abbreviations panel of the Symbols Widget.
  15. Fixed problem where ruler caret disappears in certain areas.
  16. Fixed problem where widget buttons were not obtaining focus.
  17. Fixed problem where redo function caused bond mode to begin.
  18. Bond highlights are now still drawn, even if the bond color is empty.
  19. Fixed minor graphical inconsistencies and improved a few button icons.
  20. Fixed minor errors.

1.1.3

April 23, 2008

Additions

  1. Added a beautiful, printable, customizable interactive periodic table of elements with physical properties. More elemental data will be added in subsequent updates.
  2. Brackets now have an associated label that will automatically place itself in the correct position.
  3. Bond color and border/line color have been separated in the color chooser for easier color management.
  4. Double bonds can be customized to be symmetrical always, never or only when not part of a ring.
  5. Labels can now be added as substituents instead of just changing the highlighted atom's label. (A single bond will be added with the new atom displaying the current label)
  6. New content added to the Symbols widget including "Arrows", "Constants and Units", and "Punctuation". A new preview popup appears in the upper-left corner of the Symbols widget when hovering over a symbol. Additional content will be added in subsequent updates.

Fixes

  1. Splashscreen performance greatly improved. Flashing has been eliminated.
  2. After a trial expires, a popup will appear describing the situation before asking for another activation code.
  3. ChemDoodle now recognizes HTTP redirects and reports them in an error dialog.
  4. ChemDoodle now alerts you to image warnings, such as trying to load a file that is not a recognized filetype or trying to load an image that is too large.
  5. Logouts due to session expirations are now easily handled, continuing with the current function after re-authentication.
  6. Text area now retains style information if a symbol is inserted. The inserted symbol will now conform to the surrounding style. The font and size choosers in the format bar now correctly display the style at the cursor position.
  7. Brackets copy correctly.
  8. Doodle sheets now remember which lasso mode they were in. An error where open text inputs would sometimes remain on screen when switching sheets has been corrected.
  9. Select one mode error corrected.
  10. SMILES widget now counts '*' labels in aromatics as instructed in SMILES documentation.
  11. Fixed template scaling problem. Text in templates are now oriented and centered correctly.
  12. Widget button drawing has been optimized to improve performance.
  13. Lasso optimized to improve refresh rate.
  14. Nudging has been fixed; the Doodle Board's scrollbar no longer responds to arrow keys.
  15. Copying and pasting no longer crops off long atom labels.
  16. Fixed error where the clean tool would incorrectly align some triple bonds.
  17. Object flipping now causes the doodle sheet to repaint.
  18. Atom lock-on distance is now a function of the current bond length.
  19. Labels now orient correctly regardless of whether or not atoms are being checked for chemical correctness.
  20. Resolution of Mac icons increased to 512x512 pixels.
  21. Fuzziness has been removed from Windows cursors.
  22. Resolution of Windows icons increased to 240x240 pixels. The ChemDoodle Windows executable has been recreated with many improvements.
  23. Fixed Linux problem where message dialogs would appear behind the splash screen.
  24. Failing to connect to the internet, after logging in, will log you off.
  25. Fixed minor graphical inconsistencies and aberrations.
  26. Fixed minor errors.

1.1.2

March 19, 2008

Additions

  1. Preferences now contains an option for displaying carbon labels on carbons with three modes: never, on lone carbons or always.
  2. A new drawing warning for unacceptable oxidation states has been added.
  3. CPK and Jmol color sets completed.

Fixes

  1. Brackets between discrete molecules are drawn correctly.
  2. Corrected minor issues concerning the abbreviation management panel.
  3. Updated oxidation state database.
  4. Fixed minor graphical and textual issues.

1.1.1

March 10, 2008

Additions

  1. The messaging and error system has been recreated from the ground up. Error and message windows now fit the Look-and-Feel of ChemDoodle as well as providing much more information on a given situation and how to troubleshoot certain scenarios.
  2. ChemDoodle will carefully check files upon opening them. If any errors are encountered, an error pane will describe the exact problem, where in the file that error is encountered, and suggestions to fix it.
  3. SMILES widget now parses reactions as defined by the SMILES documentation with correct 2D layout.
  4. Tables are now included in the View menu to list chemical data, including atomic properties and isotope distributions.
  5. Any mass number can now be associated with an atom, not just the known ones. An error for checking this property has also been added.
  6. Added templates pack #2 containing polycyclic aromatic hydrocarbons.
  7. Aromatic ring size is now definable in the Preferences window.
  8. Preferences now contains an option for filling or not filling arrowheads.
  9. Preferences now contains advanced options for what data flavors are placed on the system clipboard during copying to other applications to ease pasting ambiguities.
  10. The Preferences window has been completely redone, with more functions for restoring defaults and cancelling changes.
  11. New iChemLabs login screen containing a check box for linking your account information with your copy of ChemDoodle.
  12. New components improve the aesthetic and functional nature of ChemDoodle, including drop shadow borders and shrinkable task panes.

Fixes

  1. A new widget management system to get rid of the less appropriate "scrolling" system. The Statistics and History widgets are always displayed, but only one other widget is visible. The selected widget can be chosen from graphical widget buttons that appear below the History widget.
  2. Fixed undo problem where rotations were being "unrotated" around a differet center point.
  3. Reaction arrows and mechanism arrows now copy and paste correctly.
  4. Fixed ring problem where single bonds incorrectly change to the selected bond order when placed.
  5. Fixed multiple molecule optimization problems with the SMILES widget.
  6. Templates now save without retaining more specific information hampering user defined color and font choices. Current templates have been fixed.
  7. The text area margin window has been improved.
  8. Fixed highlighting ambiguity on some objects when the lasso is active.
  9. Fixed minor graphical and textual problems.

1.1.0

February 01, 2008
Version 1.1.0 is the official market release version of ChemDoodle.

1.0.7

January 20, 2008
  1. Added a Templates widget which stores templates for adding to the Doodle Board. You may also create your own templates. Current templates include amino acids and ring conformers.
  2. The Symbol widget now also adds to text areas and reaction arrow texts.
  3. Fixed mac list cell rendering problem where some list items would become white or invisible.
  4. Fixed MolGrabber LITE.
  5. MDL MOLFiles and SDFiles now center around the origin for each molecule. Further options have been added for normalizing coordinates by the standard bond length or the currently selected bond length.
  6. Fixed various minor errors.

1.0.6

January 06, 2008
  1. OpenBabel is now integrated for flawless interpretation of over 80 chemical file types. Import, Export and Convert between them.
  2. An auto-update function has been added so you no longer need to update ChemDoodle manually.
  3. More image types have been supported. In all there are 7 supported bitmap image types and 6 supported vector image types. All have support for all of their specifications.
  4. Images can now be embedded in ChemDoodle Documents.
  5. The 2D structure cleaner has been improved.
  6. MDL SDFiles have become a native format for ChemDoodle.
  7. Doodle Sheets now recognize when work has been done, and empty sheets will now close without requesting approval.