ChemDoodle Changelog

What's new in ChemDoodle 9.1.0

May 1, 2019

Features:
Mass numbers now show relative abundance values in parenthesis for naturally occurring isotopes when setting this value in the right-click menu for atoms.
A new option, Selection Tools Auto-select Last Object is now present in General Preferences to disable the automatic selection of content when a selection tool is activated.
Superscript and subscript editing in text fields can now be accessed via the keyboard shortcuts ctrl+shift+= and ctrl+=, respectively.
Strikethrough editing in text fields can now be accessed via the keyboard shortcut ctrl+X.
Improved pasting placement location from the right-click menu.
Updated isotopic mass data to the latest references available.
Fixes:
The option to minimize space between lines in labels now is specific to atom labels, and will not affect captions.
Fixed bug where captions would lose their hover ability when grouped and ungrouped.
Fixed issue where individual atoms and captions could not be rotated.
Fixed bug where manually placed charges would turn into automatically placed charges when copied and pasted.
Fixed an issue where toolbar shortcuts were not saved properly.
Corrected problem where formatting buttons did not update properly when moving the caret in text fields for atom labels and captions.
Fixed Windows/Linux issue where formatting shortcuts were not being executed in text fields.
Performance improvements for the rendering of spectra.
Improvements to the structure cleaning algorithm.
Fixed Elemental Analysis widget issue when calculating for structures containing uranium.
Fixed isotopic mass for 59Co.
Fixed a minor issue involving the output of text areas to ChemDraw files.
Fixed bug where black outlines for rectangles were missing in output ChemDraw files.
Fixed macOS issue where the native file chooser sometimes used the wrong extension in the name field when saving files.
Fixed Windows/Linux issue where the cursor hotspot was not properly defined for label tools.
Resolved issues involving null colors from files.
Fixed issue where modified hydrogen type SMARTS [HX1] were not being read correctly.
Update messages are now clearer, with the ability to skip updates restored.
Interface access to the online account has been removed as it is no longer available.

New in ChemDoodle 9.0.3 (Jul 28, 2018)

New in ChemDoodle 9.0.2 (May 17, 2018)

New in ChemDoodle 9.0.1 (May 6, 2018)

New in ChemDoodle 9.0.0 (Apr 21, 2018)

FEATURES:
Images – TIFF images can now be exported with custom DPI settings. GIF image output can now have semi-transparent pixels merged with white. Image settings have now been moved into the Preferences>Files pane. Default options for individual image types can now be defined here. Added viewBox attribute for SVG. When saving files, you can now use alternate extensions and other image file chooser improvements.
Vector Art – New glassware graphics have been added as well as dozens of new BioArt.
Customizability – The keyboard and tools shortcuts are now fully customizable by the user, using the Window>Edit Shortcuts menu item (note that some keyboard shortcuts have been changed). The user settings folder location can now be controlled by editing the ChemDoodle/config/application.config file. Custom attribute names and values are now persisted through ChemDoodle restarts.
Windows – Full support for high-DPI screens, without the manual scaling required in the past. Text sizes are also improved across the application and images updated in most places for higher reoslutions. The OLE plugin has been rebuilt for the most current compliance with Windows libraries. The auto-updater is now supported for Windows 10 (you will need to manually update to ChemDoodle 9 first).
macOS – Improved and full Retina support. The UI has been improved signiifcantly and there are no longer any blurry interface elements. Text sizes are also improved across the application and images updated in most places for higher reoslutions. Improvements to recognizing control+click as a right-click action across the entire application. Better support for handling open file actions from the system.
Drawing and Graphics:
A new system was developed in ChemDoodle that automatically places attributes (charges, radicals, stereocenter configurations, etc.) for you. It does a really good job, simply place your attribute and it and any other attributes will be automatically placed in optimal positions. You can override this system by manually dragging your attribute to the preferred spot, and use the right-click menu to reset it. You can also use the new Structure>Clean>Reset Attributes menu item.
A new function for collapsing chemical structures to labels (Structure>Auto-Collapse to Labels). This will use your current abbreviations library to intelligently condense structures into smaller images.
Electron counts in resonance rings can now be calculated and displayed.
Captions now have their own font setting. The atom text tool is incredibly smart and will know when you are trying to edit an atom label or writing a caption. The caption font can be set in Preferences>Visuals>Shapes. The text tool is now the only text tool in ChemDoodle (the text area has been removed), simplifying the drawing of advanced figures. Using the tab key while editing a caption will now create new equally spaced captions.
In addition to armchair and zigzag carbon nanotubes, chiral nanotubes can now be drawn by holding down a number to define m while using the nanotube tool. Calculations for radius sizes have been made incredibly accurate.
Highlights can now be added to entire and partial structures with a range of options for controling size and many other visual specifications expected in ChemDoodle.
The dynamic bracket has been redone to allow for better graphics and multiple brackets on an individual bond. They can now be controlled like other shapes.
Graphics for cumulenes have been greatly improved with many new options for controlling how double bonds orient themselves.
Multiple updating labels can now be stacked for a single structure. You can move them to override this behavior or reset them back to being stacked. If settings are changed in Preferences>Functions (IUPAC options for instance), all updating labels will now automatically update.
A much better system for showing hovered and selected shapes and calculating bounds for rotated shapes.
More statistics are now shown when drawing bonds, rings, chains and templates, especially at non-standard angles and lengths.
The escape key will now work for canceling current drawing actions.
Many smaller improvements and features: use alt+tab to select backwards through molecules and shapes (add shift), vast improvements across the entire hover and selection system, improved implicit hydrogen placement and isotope labels, individual control over dot sizes in zero order bonds, better adherence to turning off bond hovering across the application, tweaks to structure cleaning, improved format editing of non-chemical text, improved rotating of 3D coordinates, better feedback for drawing rulers.
Chemistry:
The CIP stereochemistry system has been rebuilt from the ground up, and is a state-of-the-art implementation of CIP rules. Even the most advanced stereocenters are now properly resolved, in accordance with the work from NextMove Software. ChemDoodle now is much better equiped to make stereochemistry suggestions in the right-click menu. A new option in the Stereocenter menu will now allow you to define all CIP stereocenters, instead of having to manually define each group.
The warning system has been redone to show clearer warnings and multiple warnings on the same object. Better stereochemistry warnings are now available including marking incorrectly drawn stereocenters, drawn stereocenters that are not stereocenters, and unspecified stereocenters.
The implicit hydrogen system is now easier to use than ever, allowing for the automatic or manual setting of implicit hydrogens based on advanced valence rules. Resonance systems can now resolve implicit hydrogen locations based on SMILES aromatic types. Aromaticity detection has been dramatically improved as well as Kekulization of advanced resonance systems.
Full support for the latest elements as defined by IUPAC.
Many more improvements to the cheminformatics engine, including radical support for masses in condensed labels, improved NMR simulation and spectrum rendering, fixes to some complex von Baeyer system IUPAC naming, properties caching for improved performance and more.
Interface:
A brand new cursor system that looks nice and is customizable. Control the contrast mode, drawing cursor and rendering options. Left handed users now have access to a left handed mode for cursors.
The IUPAC name-to-structure interface has been significantly improved and the latest OPSIN version is used.
Improved color palettes, now with Rasmol and CPK color sets. Your own custom color set can now also be defined from scratch or from other sets and saved.
HTTPS support for PubChem is now implemented for access in MolGrabber.
Added more icons for menu items. Better Preferences icons.
A new and improved color chooser across all platforms, including alpha support.
You can now control which file and image types appear in the save file choosers through the Preferences>Files pane. This is helpful to all users that need to lessen the time spent saving files.
Improvements to the left floating toolbar.
Chemical Files:
The Nature style sheet has been added to ChemDoodle for quickly creating documents in Nature style.
SMILES interpretation has seen significant work, with a focus on very advanced cheminformatics techniques. You can now control the behavior for explicit hydrogen output andcontrol whether implied double bond stereo characters should be output. Implicit vs explicit hydrogens in SMILES strings is now expertly handled, as well as OpenSMILES recommendations such as explicit bond types.
Added support for the RCSB MacroMolecular Transmission Format (MMTF), including for small molecules.
Added more support for text formatting and improved label alignments from ChemDraw files. Old ChemDraw files (

New in ChemDoodle 8.1.0 (Dec 20, 2016)

Additions:
New bitmap colorspace output options: Color, Greyscale, Monochrome. The images are not just in the colorspace, but the image data is correctly defined, so that monochrome images are much smaller than grayscale, which will be smaller than color.
Added Functions setting to use either the Bondi or current literature value for the van der Waals radius in the VABC calculator.
Added support for implicit hydrogen overrides to all capable formats.
Added some more recent elemental data.
Updated and expanded vdW values.
Added the latest new element names from IUPAC, completing the last row.
Alpha colors are now stored in ChemDoodle Documents.
Chain tool now merges with previous drawn structures in the same manner as rings and templates. Red rings will be shown for auto-connect overlaps and this behvior can be controlled in General Preferences. All issues involving drawing chains on top of previous structures have been resolved.
Auto-connect range when drawing rings, chains and templates is now controllable in General Preferences.
Added option to suppress implicit hydrogens from groups 1-12.
Functional hydrogen settings have been moved from Atom Visuals Preferences to Functions Preferences.
Added more refined options for controlling double bond symmetry. Now terminal double bonds connected to a ring can be made symetrical as a case.
Updated to OPSIN 2.1.
OPSIN warnings now still produce a result and display an appropriate warning instead of failing.
Added templates for tetroses.
Keyboard shortcuts have been added for the atom label tool, so you can bold, italicize and underline text via the keyboard.
Fixes:
Added HTTPS support for NIH Cactus, returning functionality to the 3D clean tool.
Corrected Elemental Analysis and Mass Parent Peak simulation results for structures with multiple charges.
Addressed a number of issues for implicit hydrogen calculations in resonance systems.
Fixed issue where arbitrary rings and and crown ethers drawn to a bond of length that was different from the standard length didn’t work properly.
Fixed bug where Preferences boolean button sets were flagging visuals changes for non-visual settings.
Fixed incorrect behavior where General or Advanced Preferences settings were falsely notifying the user of style sheet changes.
Fixed issue where output ChemDoodle 3D Scene (ic3) files from ChemDoodle were flipped on the y-axis.
Corrected a number of minor graphical glitches with vertical connections and wedge/bold bonds.
Closing the color select window no longer conforms colors, but does update the color button.
Using the color scrubber of the Quick Colors button now also sets the selection to that color after choosing.
Quick Colors button now correctly adjusts an entire label, even if chemical interpretation is off.
Minor updates to the Periodic Table.
The Center>Selection menu items are now correctly context sensitive.
iChemLabs extensions to JCAMP DX files have been removed and are no longer necessary. Note that older JCAMP spectra written from ChemDoodle that used these extensions (typically simulation output) will not be able to be read anymore.
Fixed rare crash that occured when Preferences bounds somehow ended up out of the defined bounds.
Fixed some minor IUPAC naming issues.
Isotopes from ChemDraw files are now displayed correctly.
Isotope labels are now correctly accounted for in bond retraction.
Ring, chain and template actions that don’t actually change the document are now ignored in history.
Minor text sizing considerations and corrections.
Kekulizer now ignores zero order bonds.
Improved text layout in tabs not to overlap with close buttons.
Restoring the document now correctly updates the History widget.
Restoring the document now correctly clears the selection if there is one defined.
Fixed issue where loading an autosave didn’t correctly enable the Restore menu item.
Fixed issue where dialogs were not reappearing after being deiconified.
Carbon labels will now be displayed in the implicit hydrogen count is overridden to 0.
Fixed the Login window cutoff.
Completely uppercase element symbols are now correctly handled when reading in MDL CT files.

New in ChemDoodle 7.0.2 (Dec 20, 2014)

New in ChemDoodle 7.0.1 (Oct 8, 2014)

Fixes:
Fixed bug in creating ChemDoodle Web Components where integer specifications were not properly set.
Fixed bug in creating ChemDoodle Web Components that prevented spectra from displaying.
Fixed bug where dragging to move content failed on some Macs and a drag and drop action would commence instead.
Fixed issue where some tweets from ChemDoodle were failing.
Resolved graphical glitch where a two token, two line atom label could not be centered.
Tweaked startup memory parameters on Windows as the higher memory allocations were causing issues on older machines.
Fixed issue where another application on Mac could corrupt the Java installation and corrupt ChemDoodle by placing incompatible libraries in the public Java classpath. Be careful of other Java applications that you install!
Some anti-virus software were incorrectly flagging ChemDoodle’s uninstaller. We have made a change to avoid this false positive.
New Features:
A new and improved interface based on the feedback from the last 6 years. The new interface is focused on the content and allows you to maximize your drawing areas. Widgets are now floating and can be individually enabled and disabled.
ChemDoodle 3D. A new application for creating 3D graphics and more for the sciences. You have full control over the 3D graphics and animations, including text. Distance, angle and torsion measurements are provided. Also a corresponding builder for 3D ChemDoodle Web Components. There is so much more.
Full multipage document support. Create lists of pages or grids. Draw between all pages and print them out.
BioArt. Large, full color, libraries of new art for use in biological figures, including animals, organs and organelles.
A set of 48 safety symbols included in the glassware set.
Significant performance improvements, in many cases 20x faster than v6. ChemDoodle will now load faster, work faster and respond faster.
New drawing features: collapse fragments to labels, incrementing list attributes (to quickly number or designate parts of structures), new TLC options, rotate atom labels if only a single atom is selected (as opposed to the global option), and more visual specifications among others.
Twitter integration.
Integration with the LabArchives ELN.
Support for both Java 6 and 7 on Mac OS X.
Dozens more improvements and additions.

New in ChemDoodle 7.0.0 (Sep 5, 2014)

New in ChemDoodle 6.0.1 (Jun 9, 2014)

New in ChemDoodle 6.0.0 (Dec 2, 2013)

New Features:
IUPAC naming with over 20 options.
Carbon nanotube and prism builders. Both zigzag and armchair nanotubes can be built. These tools quickly produce 3D geometries.
Auto updating labels can now be attached to molecules, so they will update with IUPAC names, molecular formulas and more.
Mac OS X Quick Look plugin. Easily preview all your chemical files in Finder just by pressing the space key.
More glassware, including a new organized glassware window. You can now also remove liquid from the templates.
Significantly improved graphics. Graphics in ChemDoodle were already very good, but we took a look at all the graphics at very high scales and resolutions. We have made sure to focus on all the little details. Bond join edge cases have been improved. Hashes are now auto centered, making recessed bonds and dashed bonds look much nicer. Other bond types have been scrutinized for the best aesthetics. Convex hull algorithms have been built for better placement of bonds around labels. Cis double bonds will now prefer the inside edge. Circles over charges now only surround the number. Aromatic ring circles now meld to the shape of aromatic circles. Arrows look nicer. You won’t find better graphics in any other application.
3D coordinate generation.
A new 180° chain angle clean option for easily creating Lewis structures and figures with 90° angles.
Complex embedded ring systems (like corannulene) now clean very well in 2D.
Added resolution controls to the Elemental Analysis widget.
Meso stereochemistry support.
An advanced formatted text system for the system clipboard. You can now copy and paste your molecular formulas, IUPAC names and others into word processing applications with formatting intact.
Many other minor, but useful features: option for the delete key to decrement bonds, nominal mass counter, improvements to the TLC Plate widget, improvements to arc placement previews, alt and shift now modify attribute placement just like placing bonds, improved file chooser previews for data files, more templates for the Templates widget, and more.
Squashing of dozens of bugs.

New in ChemDoodle 5.1.0 (Apr 27, 2013)

Executive Summary:
This update addresses several issues brought to our attention and adds a bunch of minor features. Support is added for ChemDoodle Web Components v5.
Additions:
Updated ChemDoodle Web Components support to version 5.
It is now easy to copy/paste ChemDoodle JSON (for easier interaction with the web sketcher on a webpage) directly from the Edit menu.
Added a Paste and Match Style menu item to the Edit menu to paste content and match the current style sheet.
Zero order bonds are now rendered as a line of dots.
Bonds can now easily be drawn between two atoms by just dragging the mouse close to the second atom when drawing.
Half-arrows can now be drawn on bezier curves.
Added 31 new glassware templates.
You can now change the arrow type (full/half) in the shapes settings dialog.
Added rearrangement arrow option to the shapes settings dialog.
In the General panel in Preferences, you can now control the highlight, selected, preview and error colors.
When using the Carbon Chain tool, the carbon chain will now invert in half portions depending on where the mouse is located. More angles are now allowed.
Added a Delocalize menu item to the Structure menu to delocalize a Kekule structure.
Added a menu accelerator for Copy as SMILES and Paste as SMILES.
Improved the bitmap rendering of straight arrows.
Minor graphical improvements inlcuding line highlighting and anchor rendering.
Fixes:
Improved PubChem results.
Implicit hydrogens are now preserved in MolGrabber if they help to define stereocenters.
Fixed issue where fusing rings to bonds did not always choose the best orientation in the optimize zone.
Mass calculations now take into account atom charges.
Improved NMR simulation chemical shift accuracy for acetylene and aldehyde protons.
Fixed bug where pasting chemically interpretted atoms would ignore formatting.
Fixed issue where switching to new document when a text field is open reopens the old text field.
Fixed bug where formatting a carbon label caused file corruption.
Fixed bug where closing a blank formatted atom field would cause an error.
Editing arrows using the shape settings window can now be undone.
Reduced the width of the Unicode button in the Symbols widget to facilitate resizing.
Resolved issues where using the shift key on Windows would cause some issues when editing content with a selection tool.
Resolved issues where using the alt key on Windows would cause some issues when selecting content with a selection tool.
Removed the invisible rotation anchor that would be present for single selected atoms.
Decorated reaction arrows now correctly shift text to avoid overlaps.
Fixed issue where using the atom start select tool in the Line Notation Pad widget would cause it to crash on rare occasions.
Selection tools no longer allow the hovering of attributes when selecting single objects.
Fixed issue when url encoding was required to properly query ChemExper.
JCAMP spectra units are now detected regardless of case.
Fixed Kekulizer issue where errors could occur.
Improved detection of MOLFile variations.
Minor textual corrections.

New in ChemDoodle 5.0.1 (Dec 7, 2012)

New in ChemDoodle 5.0.0 (Nov 1, 2012)

New in ChemDoodle 4.1.1 (Dec 7, 2011)

New in ChemDoodle 4.1.0 (Nov 17, 2011)

Additions:
The rendering engine has been upgraded with additional improvements. Bond joins will now look nice regardless of the end cap chosen. The default end cap is now butt for flat bond ends and sharp looking structures. The second line in double bonds will now be placed more appropriately when in constrained structures, such as norbornadiene. Symmetrical double bonds will now extend to connect to the bonds they attach to. Protruding bond merging to multiple single bonds has been improved. Protruding and bold and thin double bonds now merge. Atom labels will now base their vertical alignment on a non superscript or subscript token if a superscript or subscript token is the attachment point. A visual specification to control bond merging is now provided.
Autosaving. Your work is now automatically saved. The defaults can be configured in the Preferences window under the Saving tab. You can turn autosaving on and off, and change the save interval. By default, the save interval is 5 minutes.
52 new glassware templates.
Glassware templates can now be flipped.
Bitmap image output is improved. The image scale is now definable for each output image. The default scale is 4x. JPEG and PNG output can now define DPI for high quality printing when scalable vector graphics are not an option. The default DPI output is 300dpi. Transparency can now be defined in formats that support it. The defaults can be configured in the Preferences window under the Advanced tab.
A new menu item to optimize a PDB file to ChemDoodle Web Components JSON for fast loading and manipulation.
A new pinwheel color chooser is provided on all platforms. The color chooser is much improved on Windows/Linux, with new panels for more robust color picking.
Arrowheads now shrink when their length is greater than half of the line length.
JCAMP spectra are now written.
Added a new option to control if Hz are automatically converted to PPM from input JCAMP spectra. This is enabled by default.
Line notation formats will now recognize multi-line input.
The widget dock is now movable.
Added a new specification to control the width of the outlines for atoms represented by circle graphics.
EPS and SVG output now includes ChemDoodle metadata for round-trip editing.
The site license configuration now contains master controls to disable/enable updates and expiration notices.
Fixes:
PubChem searching in the MolGrabber widget has been restored.
The automatic display of terminal carbon labels is now disabled by default. You can turn them back on in the Preferences window, under the Visuals tab under the Atoms sub-tab in the Carbons section.
ChemDraw files are now read in with finer attention to detail. Text boxes appear correctly and alignments are now read, arrow heads more closely match their size, curved arrow coordinates have been corrected, attribute locations are better calculated, charges and radicals are no longer duplicated graphically, bold and formatted labels are now read, charges will be surrounded with circles if detected, show/hide of carbon labels is now adhered to, wavy bond specifications are set, terminal carbon label and implicit hydrogen settings are read.
Fixed a couple NMR simulation issues. Alcohols are now recognized when connected to aromatic rings. Alcohol shifts next to aromatics are improved.
Fixed bug where stereochemistry in very complex structures with many condensed labels were not being determined correctly.
Stereochemistry will no longer be defined to aromatic bonds like in benzene.
Fixed issue where forcing E/Z stereochemistry did not update atom label positions.
Improved the performance for detecting stereochemistry in complex structures with many condensed labels.
Fixed bug where forcing cis/trans stereochemistry to a non-applicable double bond would cause an error.
Stereochemistry is now detected for double bonds in structures with condensed labels.
Glassware templates now correctly show default stroke colors.
Fixed issue where some glassware templates were not being correctly drawn.
CML output now correctly defines namespaces.
X-axis offsets are now read in from JCAMP files.
SLN input is now read correctly, even if there are atom id clashes.
Fixed issue where the SMARTS matcher was not correctly matching some aromatic bonds.
Improved the maximum activation message to explain how to deactivate/reactivate ChemDoodle.
Fixed bug where XLogP v2.0 calculations were not consistent and were inaccurate.
Bonds no longer withdraw from atoms represented by circle graphics.
The buffer between a reaction arrow and its constituent structures has been reduced by half when cleaning.
ChemExper supplier searches now include explicit hydrogens.
Fixed bug where drawing a double lined arrow would set the default line style to be doubled.
The color button is now clearer when empty colors are defined.
Fixed bug where the template widget would have some issues if it was defined as the default widget.
The Line Notation Pad widget now lays out multiple discrete molecules.
Fixed issue where colors in text areas were not being saved.
Fixed issue where opening a text field/area and then changing tabs caused the text component to remain open.
Fixed issue where sometimes the default document style sheet was being incorrectly overridden by the current style sheet.
Fixed EPS bug where some output would disappear when rotated text areas were present.
Fixed bug where the radical attribute button would place a charge instead.
Fixed issue where MDL CT file output had labels right-aligned, while still valid, some other applications require them to be left-aligned.
Fixed a couple interface issues, such as how drop down menus would close when the mouse scroll was used.
Fixed bug where interface settings were not being stored with the workspace.

New in ChemDoodle 4.0.0 (Sep 21, 2011)

New in ChemDoodle 3.3.1 (Jan 28, 2011)

New in ChemDoodle 3.3.0 (Oct 25, 2010)

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)
Gibbs Enery of Formation (ideal gas, unit fugacity, at 298K)
Heat Capacity (ideal gas, at 298K)
Liquid Viscocity (at 298K)
Normal Boiling Point
Normal Freezing Point
New arrow types:
Retrosynthetic
Bold
Rearrangement
A new function to select by SMARTS. ChemDoodle now has a full implementation of the SMARTS matching protocol; further features that access this functionality will be provided as ChemDoodle evolves.
A new SMILES option to preseve bond orders on output. In essense, aromaticity will not be output to SMILES.
The ChemDoodle workspace now sizes appropriately. On smaller screens, ChemDoodle will still expand to the full view, but on larger devices, ChemDoodle will only take as much room as necessary. When resizing the workspace, the widgets will be appropriately placed to the right of the window. The workspace size and location are now preserved between sessions.
A new Kekulize function that assigns double bonds to sets of bonds to maximize pi electron delocalization. If a structure consists of only single bonds, this function will affect the entire structure. If a structure has any resonance bonds assigned, only those bonds will be affected. SMILES input now automatically Kekulizes input.
Text area font colors can now be changed.
Designating all resonance bonds in a ring now forces that ring to be defined as aromatic.
New keyboard shortcuts to add rings to bonds using the shift key. Alternate bond types are now assigned using the alt key.
Adding rings to bonds now automatically selects the most appropriate orientation if the mouse pointer is close to the bond.
A new option to skip the current update. Once chosen, you will no longer be notified of the current update, but will be of subsequent updates. Choosing the Check for Updates menu item in the Help menu will override this choice.
Renovated the keyboard shortcuts PDF.
Fixes:
Fixed bug on Linux, where EMF output was missing atom labels.
Fixed bug where EPS clipping was not preserved correctly.
Provided a workaround for a Mac bug caused by the latest Mac Java updates, where the Preferences… menu item did not appear in the ChemDoodle menu.
Fixed SMILES bug where double digit ring indexes were not written.
SMILES reading no longer places explicit hydrogens on chiral centers.
Explicit Hydrogens are now output to SMILES.
Emptying the lasso now updates the Properties widget.
Fixed issue where reaction text areas were not properly accounted for when distributing objects.
Fixed bug where using parenthesis incorrectly in condensed notations caused problems during label expansion.
A Linux natural serif font is now used to correctly show font icons on Linux.
Hydrogen counts are now modified by radicals.
Attributes now rotate with structures instead of preserving their distance vector from the atom they describe.
Menu items to calculate descriptors now warn when the structure cannot be sensibly expanded.
Changing fonts to bold/italic now resizes the lasso.
Fixed issue where completely undoing all actions in a text area did not allow you to redo anything.
Underline and strikethrough rendering in text areas now always draws a 1 pixel solid line.
Using the font edit buttons in the text area toolbar no longer steals focus from the text area.
Fixed issue where arc angles could not be set to 0 in the Format Arc… window.
Arrows now correctly conform to document settings.
Charges are now appropriately assigned to the nitro group abbreviation.
Aromaticity detection is significantly improved, especially for fused ring systems.
Changing bond orders in rings now reassesses aromaticity.
Fixed rare bug where sometimes dragging a structure from the MolGrabber widget caused undo/redo issues.
An informative error is now displayed by the MolGrabber widget if a database is inaccessible.
Fixed bug where certain visual aids were saved to the workspace, but upon a new session, the View menu was not properly updated to show they were enabled.

New in ChemDoodle 3.2.1 (Sep 6, 2010)

Additions:
A new setting has been added to turn off the starting atom requirement. The starting atom setting is intended for users new to chemical drawing programs. More experienced users find they can more quickly draw figures if they turn off this starting atom requirement. This option is provided in the General tab of the Preferences window.
A new right-click menu item has been added to quickly show/hide Carbon labels without opening preferences. This option only appears for “C” labels.
A new option has been added to show/hide borders on Rectangles, Ovals, Text Areas and HTML Areas. This option is disabled by default for Text Areas and HTML Areas so they are now borderless by default.
A new spectrum mouse gesture, shift+drag, will translate the spectrum along the x-axis.
Integration lines can now be rendered for NMR spectra. Color and thickness are editable.
Grids can now be rendered for spectra. Color and thickness are editable.
ChemDoodle Web Components v3.5 is included.
Fixes:
Fixed major issue when renewing a Site License activation where an innocuous error is displayed, making it seem like an error had occured when really everything renewed correctly.
Fixed bug where the Line Notation Pad widget would go blank if an atom with an isotope defined was input.
Isotopes are now supported in ChemSketch files.
Improved the interpretation of coordinates from JCAMP-CS files.
Fixed the reading of negative abscissa values from JCAMP-DX files.
Fixed issue reading element types from SKC files with atomic numbers greater than 107.
Improved the performance of line notation readers.
Line notation readers now warn of multiline input.
Fixed SMILES input issue where the ring closing bond type is specified before a ring declaration.
Improved ROSDAL reading.
Fixed the reading of mass numbers and radicals from InChI strings.
Fixed the writing of radicals to InChI strings.
Fixed bug where changing the bond width or texture thickness to values not available in the Strokes toolbar had no effect.
Single bonds in condensed labels are no longer superscripted.
Charges are now set when expanding condensed labels with charges defined.
Abbreviations now trump elements, so “Ac” is interpreted as an acetyl group instead of Actinium.
Improved condensed notation interpretation to recognize abbreviations at the beginning of atom labels.
Improved handling of abbreviations with different interpretations depending on connectivity, for instance “CO2″ can be either carbon dioxide or part of a ester or carboxyl group.
Fixed rendering of orbitals and ovals in PICT output.
Fixed shape rotation issues in PICT output.
Fixed bug where SSSR linear independence was incorrectly determined by atom sets. The linear independence is now correctly determined by bonds.
Keyboard atom shortcuts alt+3 and alt+8 now correctly place cyclopropene and cyclooctatetraene, respectively.
Fixed bug where the window would go blank when trying to determine the stereochemistry of a fully substituted double bond.
Fixed bug where text input components remained and could not be removed if clearing the Doodle Board while a text input component was active.
Fixed bug where zooming in on a flipped x-axis spectrum in the Spectrum Edit window caused the spectrum to incorrectly flip and display crossing tails.
Removed the rendering of infinite tails at the end of spectra that may be incorrectly interpreted as data. The spectrum now stops at its ends.
Fixed the display of the Degree of Unsaturation descriptor in the Properties widget.
Improved the calculation of the Hydrogen Bond Acceptor descriptor.
Improved small case issues in aromaticity detection.
Fixed bug in calculating Morgan indices.
Fixed issue where the main window sometimes lost focus when trying to use keyboard accelerators and shortcuts.
Fixed minor issues where modifier keys didn’t show immediate feedback when transforming lasso content.
Slightly improved Statistics widget scrolling and selecting.
Raster image output now correctly conforms to the advanced specifications for document rendering.
Removed HTML Area highlight decorations from appearing in image output.
Fixed bug where second token in superatoms didn’t stack if that superatom is the first entity in a label.
Dragging after placing an atom will now correctly hover/dehover it.
The atom the mouse is under is now automatically hovered after a template or ring is placed.
Fixed minor issue when searching ChemExper where results without coordinates were displayed.
Fixed issue when searching ChemSpider where short bonds to Hydrogens were being considered when scaling structures to the preferred bond length causing structures to be somewhat larger than preferred.
Fixed minor issue where shadow settings were displayed for shapes that did not support shadows.
Fixed issue where some spectrum visual specifications were mistakenly global.
Expanding the spectrum to fit in the Spectrum Edit dialog now refreshes the tick spacing controls.
Negative values in spectra no longer offset the baseline.
Closing the Preferences window by using the top bar’s close icon will now work just like the Done button.
Fixed bounds calculation for rotated label shapes.
Enabling/disabling chemical warnings now give immediate visual feedback.
Added lasso decorations for orbitals.
Removed lag when checking for updates when no internet connection is found.
Displaying the update changelog when new updates are announced is now instantaneous.

New in ChemDoodle 3.2.0 (Jul 30, 2010)

Orbitals can now be added to structures. These are 2D graphics that can be attached to atoms or bonds or can be standalone. A gradient is used to give them a 3D appeal. Supported are atomic orbitals (s, p, d, f), hybrid orbitals (sp lobe, sp3), and bonding orbitals (σ, π). Orbitals can also be read from and written to ChemDraw files. There are two visual specifications for orbitals in the Preferences window under the Visuals tab under the Shapes subtab: Length Multiplier – Sets the default size of orbitals relative to the current bond length; Stroke Shaded Lobes – Sets whether or not outlines are drawn around shaded orbital lobes.
The graphics engine in ChemDoodle has seen a significant upgrade and graphics rendering has significantly improved. Performance has also been significantly improved. Graphics controls for low level rendering are now exposed in the Preferences window under the Advanced tab. Change these only if necessary to favor speed or to affect how graphics are rendered. These rendering options will only affect devices with resolutions, such as bitmap images and monitors; scalable vector graphics remain perfect and unchanged.
Added a new option to simulate soft clipping for bitmap images in the Advanced tab of the Preferences window. This makes Recessed bonds look much nicer.
A new system for expanding condensed formulas and abbreviations in atom labels to their all atom models. There are several features that benefit from this:
All calculations based on structures (properties, NMR spectra, etc.) will first expand the molecule, so proper results will now be obtained when using condensed formulas.
Atom label errors are improved. ChemDoodle will alert you of unknown tokens and will properly evaluate atom valencies. For instance, a terminal label of CH3 will be approved while a terminal label of CH4 will not.
Abbreviations can now be expanded. So Ph, Et, COOH, etc. will be properly expanded to the corresponding all atom models and can be used in condensed formulas. You can add your own custom abbreviations.
Atom label token stacking is more intelligent and will now stack based on token groups. For instance, the label CH2CH2COOCH2CN will stack as (CH2)(CH2)(COO)(CH2)(CN).
Complex shorthand notations are also supported, so C(CH3)3 will be expanded as a t-butyl fragment and CPh3 will be expanded as a triphenylmethyl fragment.
The ChemSpider database has been integrated into the MolGrabber widget.
The Properties widget now has a second mode that will be automatically activated when a single molecule, and only a single molecule, is being edited in the current document. The display will change to a table that will list the most important properties and will automatically update if allowed. There is a new checkbox at the top of the widget to disable automatic updating of the data, which will be useful for less powerful computers.
Scalable vector graphics can now be directly pasted into the entire Microsoft Office suite, including Powerpoint and Excel.
Added a Save Selection as Image menu item to the File menu to quickly save just the selected content to an image.
Added a Copy As submenu to the Edit menu to quickly copy selected structures as various datatypes at maximum compatibility on the system clipboard.
Added a new drag erase gesture when using the Eraser tool. Press and drag over any objects to be removed and they will be highlighted. Release the mouse to delete all highlighted objects. If you drag over a previously highlighted object, it will be unhighlighted.
ChemDoodle Web Components v3.1 is now included. The ChemDoodle Web Component generator has been updated accordingly. New default sizes are provided for standard iOS device resolutions.
Molar Refractivity can now be calculated for structures.
Some widget settings are now saved in the workspace, including the last selected widget and the database choice in the MolGrabber widget.
The MolGrabber widget now provides a direct link to the chosen database’s website for the selected molecule. Press the Show Associated Data button and the top item will show the database’s compound id. Click on the compound id to visit the webpage for that molecule.
Menu items for unrepresented keyboard shortcuts have been added: Flip Bond, Align Bond and Add Attribute.
A new keyboard shortcut for adding attributes to hovered objects, Shift-A.
Added a new visual specification to set whether the second bond line in double lined bonds are shrunken when next to an atom label.
Radial gradient rendering is greatly improved for shapes to better portray 3D appeal.
Fixes:
Improved how the default style sheet is saved. The default style sheet will no longer be affected when ChemDoodle is closed. Both changing preferences and conforming a document will now ask if the new settings should be default. A new menu item, Save Document Settings, is present in the Window menu for explicit saving the current document style sheet as the default settings.
Fixed a bug where structures could not be dragged into the Line Notation Pad widget.
Fixed bug where changing tabs when content was selected would change the colors of the selected content.
Selected content is now properly remembered when switching between tabs.
Fixed issue where a molecule still appeared selected if it was deselected using the alt+shift keyboard shortcut.
Fixed bug where reading a lone atom from a file will have its label misplaced.
Fixed issue where the SSSR finder was not enforcing linear independence.
Fixed issue where the Euler facet ring finder was skipping rings.
Colored in ring guides no longer appear in output.
Fixed bug where an infinite loop started when cleaning complex multi-ring-substituted ring systems.
Fixed bug where some structures were not being cleaned.
Improved the cleaning of complex ring systems.
When cleaning structures, triple bonds are now aligned parallel to their substituents.
Improved boundary conditions for token alignment to favor the horizontal alignments.
Fixed bug where some counters were not being calculated in the Properties widget.
The Calligraphy stroke skew angle has been offset by 15 degrees to avoid ghosting effects with vertical bonds.
The arrow size for the ACS Document 1996 chemical document settings has been set to 8 pixels by default.
Changing the arrow specifications now will apply to arrows without having to reselect an arrow tool.
ISIS Sketch files that are missing the closing tag are now read properly.
Fixed conversion issues with ChemSketch files.
Fixed PDB file issue where files that incorrectly contain 0’s in inappropriate places were not being read.
Fixed issue with aromaticity detection where some 5 membered aromatic rings were not being properly detected. Changing any atom labels in rings will now recheck their aromaticity.
Fixed issue when adding hydrogens as text to some structures, where nonexistent hydrogens were being found and “removed” so nothing would be added.
Fixed slowdown when custom fonts were used.
Changing the atom label vertical alignment now updates bond buffers.
Aligning bonds now takes into account if the bond has been flipped.
Attributes now move correctly in grouped content.
Fixed bug where holding alt+shift to select a molecule would incorrectly move the hovered atom.
Negative coordinates in CDX files are now properly read.
Inserting a PDF or dropping it on the Doodle Board will search first for ChemDoodle metadata.
There is no longer a clash on the system clipboard between the PICT and PDF formats on Mac OS X. Both should now always remain selected. You can now work with both Microsoft Office and iWork without having to change the clipboard settings.
Macintosh Vector PICT output has been improved.
Macintosh Vector PICT clips have been improved to remove the residual effect on clip borders.
Windows Enhanced Metafile output has been improved.
Removed small rectangle that appeared in EMF output to the top left of the origin that was only visible if content was offscreen.
EPS output is now smaller.
Improved ruler tracking when moving the Doodle Board scrollbars.
Fixed issue with text input components where text would appear to “jiggle”.
Fixed rare lasso repaint issue that would stop certain sides from displaying the crawling ants effect.
Fixed issue that caused a crash when reading a corrupted workspace file.
Fixed bug where some right-click menu items were displayed but were disabled.
Fixed problem where stacking of off-document content was performed when clicking on the blue background, when stacking should only be performed by clicking on the red strips.
Document rendering and application rendering have been separated.
Missing references have been added.
Fixed minor issues.
Minor text fixes.

New in ChemDoodle 3.1.0 (Jun 18, 2010)

Executive Summary:
ChemDoodle 3.1 provides three new file formats: ACD/ChemSketch Document, MDL RXNFile (both V2000 and V3000) and MDL RDFile. ChemDoodle now reads and writes the formats of all chemical sketchers. Also implemented is a complete interface to the ChemExper database providing structures and properties from the MolGrabber widget and access to chemical suppliers for structures that you draw. The NMR simulation algorithms have been greatly improved. Many bugs have been fixed.
Additions:
Incorporated the input and output of the ACD/ChemSketch Document format.
Incorporated the input and output of the MDL RXNFile format for storing single reactions. Both V2000 and V3000 connection tables are supported
Incorporated the input and output of the MDL RDFile format for storing reaction schemes.
Integration of the ChemExper database. Access to structures and properties provided in the MolGrabber widget. Access to to chemical suppliers for the chemicals drawn by clicking the Chemical Suppliers menu item in the Structure menu.
Search widget now displays a drop box for placing the search structure in, replacing the spinner that was previously there and making the use of the widget much more intuitive.
More restriction options have been added for the Search widget, and those options are now accessible right from the widget. Restricting result set size. Excluding PDB files.
NMR simulation algorithms greatly improved. 1H: anisotropic effects, ring strain, hydrogen bonding effects, rapid exchange, diastereocenters, heteroaromatics 13C: alkane improvements, alkene improvements, alkyne improvements, decreased quaternary peak intensities, heteroaromatics
When atoms are hovered, the enter key will now set the hovered atom’s label to the last typed atom label. Opening a previously typed atom label will set the enter key text to that label.
When bonds are hovered, the arrow keys will orient the bond in the pressed direction from start atom to end atom, rotating the entire molecule it is contained in.
When objects are hovered, pressing the comma key will open that object’s visual specifications formatting window.
Added a visual specification for reactions to set the padding for reaction condition text if that text is centered. When cleaned, reaction arrows will now fit their text based on this padding. Reaction arrows with no text will have a length equal to twice this value; 30px by default.
Added a visual specification for attributes to determine the amount of reduction for font text size in attributes that contain text.
Included a new file specification for MDL connection tables to include/exclude Hydrogen counts.
Added a style sheet to quickly produce 2D graphics for 3D data and scenes.
Fixes:
Fixed issue that caused a flashing of the mouse cursor when using the lasso tool and hovering over shape anchors.
Fixed issue where the close icons weren’t being rendered on tabs on Windows/Linux.
Fixed issue where clicking on a terminal atom didn’t select it.
Atom Label Tool icon has been changed to stick out more.
Fixed bug where nothing happened when deducing the stereochemistry of an ambiguous stereocenter.
Structure cleaning algorithm runtime has been greatly improved when complex embedded rings are present. Previously, this runtime lasted about 30 seconds, it is now instantaneous.
Added more preset templates to the structure cleaning algorithm.
The cleaning of very wide reactions has been greatly improved.
The default reaction constituent buffer has been halved to 20px.
Fixed problem where the File menu would temporarily disappear if reading a file in ChemDoodle that wasn’t recognized.
Fixed issue where rarely a file will be duplicated on the recent files list on Windows.
Delete key properly removes all attribute objects selected, regardless of type.
Radical attributes can now be properly deleted.
Attribute fonts can now be changed properly.
Nudging content with the arrow keys now properly moves attributes.
The quote character is no longer stacked in atom labels.
Pasted molecular properties from the Descriptors submenu in the Structure menu all now paste a title description as well.
Fixed bug where choosing empty colors in the color choosers on Windows/Linux caused errors.
Removed duplicated ChemDoodle Document checkbox in the Windows Filetype Association window.
Fixed NMR SignalSeek widget bug in the peak breakdown that displayed duplicated peak labels.
Heteroatoms that split nuclei are now properly highlighted in breakdowns from the NMR SignalSeek widget.
Shift contributions are now right-aligned to align the decimal points in the shift explanations from the NMR SignalSeek widget.
Fixed 13C NMR shift explanations in the NMR SignalSeek widget.
The NMR SignalSeek widget temperature is now properly described in Kelvins.
Fixed bug in the NMR simulation algorithms where some functional groups were being defined past their bounds.
Bond breakers are now rendered properly.
Bond z-order is now preserved when copying and pasting structures.
Fixed issue where changing the bond stroke styles could not be undone.
Fixed issue where valency warnings were incorrectly displayed on cations.
Fixed issue where files that were opened and changed the size of the page didn’t do so according to the selected viewing scale.
Fixed issue where opening multiple files didn’t immediately perform checks.
Fixed certain checks after using keyboard shortcuts.
Fixed issue where changing tabs may not have reset the out-of-bounds warnings.
ChemDoodle Documents can now be recognized by ChemDoodle even if the extension is changed.
Fixed minor issues related to reading files that do not have the correct extensions.
The Format Atom window is now restricted to 500px in height.
Improved the look of file choosers on Mac OS X.
Improved warning message that is displayed on Windows when open files are locked by another application and cannot be saved.
Greatly improved the rendering of tabs on Windows/Linux.
Fixed bug where tab titles in the Preference window were cutoff on Windows.
Minor graphical and text improvements.

New in ChemDoodle 3.0.0 (May 25, 2010)

New in ChemDoodle 2.0.5 (Dec 21, 2009)

New in ChemDoodle 2.0.4 (Dec 19, 2009)

New in ChemDoodle 2.0.2 (Jun 22, 2009)

New in ChemDoodle 2.0.1 (Jun 15, 2009)

New in ChemDoodle 2.0.0 (May 28, 2009)

Additions:
ChemDoodle can now transfer scalable vector graphics into Microsoft Office, OpenOffice, iWork, Adobe Products, and almost any other applicationiChemLabs has written this functionality as a proprietary libraryNo other Java application can transfer scalable vector graphics, and only ChemDoodle can transfer scalable vector graphics into OpenOffice on Linux! You may read more about this feature here.
Different bond stroke styles can now be used to create chemical artThis is perfect for posters and other less formal occasionsCurrently provided are brush, bristle, charcoal, scribble and wobble stroke stylesYou may read more about this feature here.
A new TLC Canvas widget has been added for digitally reproducing your TLC platesGradients and transparency are supported for photorealismYou may read more about this feature here.
A new Properties widget for calculating various properties of selected moleculesMore properties will be provided in the futureThis widget updates to changes within the selected molecules.
The SMILES widget has been upgraded to the Line Notation Pad widget and can parse and generate Daylight SMILES, Beilstein ROSDAL, SYBYL SLN and IUPAC InChIAdded a new option to explicitly control the starting point for line notationsNote that this setting is ignored for canonicalized line notationsYou may read more about this feature here.
File annotations are now read and written in chemical documents for your records and so others can see your notes.
Several new chemical filetypes can now be read and writtenAll objects and properties are handled, including fonts, colors, shapes, annotations, settings, etc., if applicable.
ISIS Sketch File (.skc)
ISIS Sketch Transportable Graphics File (.tgf)
Protein Data Bank Files (.pdb, .ent)
Standard Molecular Data (.smd)
Tripos Mol2 (.mol2)
Daylight SMILES (.smi, .smiles)
Sybyl Line Notation (.sln)
IUPAC InChI (.inchi)
Beilstein ROSDAL (.ros)
MDL v3000 connection tables are now written.
CML arrays can now be written as well as readYou can choose whether to use arrays or not.
Many chemical file type options improved.
Full support documentation is provided for all recognized chemical file types.
Added icons for ChemDoodle Template files.
The structure beautifier has been significantly upgraded.
New condensed mode for netbooks and other low-resolution workstationsAll toolbars are condensed, and only 1 widget appears at a time in this modeAll recently opened files will be located in a submenu of the File menuThe main scale starts at 75%All windows will now display properly on small resolutions including preferences and the periodic table of elementsThe desktop will scroll if very small dimensions are used.
Added a cyclohexane chair conformer button and its mirror image counterpart to the Rings toolbar.
Added four new bond types: Zero/Ionic, Double Dashed, Any and Unknown.
Added a deactivation procedure for those wishing to move their installation to a different computerThis procedure begins by selecting the Deactivate ChemDoodle menu item in the Help menuThis option is only present for activated copies of ChemDoodle.
New ruler shapes measure and display dimensions in various units.
Added polyline/polygon and freeform shapesControl points are anchors for further connections and closing shapesPen shapes can now be closed as well.
New Remove Selected Bonds and Calculate Covalent Bonds menu functions have been added to the Structure menuCalculate covalent bonds when reading in corrdinate files without explicit topology.
A new Flatten menu item has been added to the Content menu and sets all the z-coordinates of atoms to 0.
New Fisher projection chain and random chain tools for drawing chains quickly.
A much improved color chooser is provided on Windows and Linux.
Page dimensions can now be exchanged in all page dimension input panels.
Added additional grid background guides at 1/2 and 1/4 inchesAll grids are now aligned to the top-left.
Added crosshair background guides.
Atom circle radii can now be specified as atomic, covalent, van der Waals or constantYou can set the constant radius.
Added an Angstrom-to-Bond Length ratio in the Preferences window so you may control the scale of real coordinates that are read in from filesThis ratio controls all measurements performed in ChemDoodle.
Atom text can now be rotated.
Morgan indices can now be assigned to atoms as identifier objectsThis function is accessible in the View menu.
Choosing all zeros in the Multiplet Tool widget now clears it.
Horizontal scrolling is now supported on Macs.
Format guessing is now more robust than ever.
A complete Unicode selector has been added to the Symbols widget.
Symbols widget symbols have been updated, reorganized and cleaned up.
Added bracket lip width property.
All object properties are now individually modifiable.
Unit selectors have been added to all measurements.
The Join function will now also join two distinct bonds.
New arbitrary zoom option in the Formatting toolbar's zoom combobox.
Keyboard shortcuts have been intuitively assigned to almost all menu itemsThe docs folder in the main ChemDoodle folder will contain a pdf will all the keyboard shortcuts presented in a table.
A thorough navigatable and searchable (in pdf form) user's guide has been written and has replaced the tutorial.
Linux icons provided in the /ChemDoodle/resources folder are now 48x48px in dimension and are better quality.
The iChemLabs Emender application is now provided in the /ChemDoodle/resources folder to easily repair a corrupted ChemDoodle installation.
Fixes:
Runtime performance improved dramatically for large amounts of content.
Containing rectangles are now properly calculated for all shapes, even when rotated.
Fixed various line notation issues.
Adobe PDF output is now saved at the correct scale and sizeWhen pasting into iWork, scalable vector images will now be the correct size.
Adding labels as substuents will now default to placing a starting atom if no starting atom is selected.
Adding labels as substuents now correctly overrides the last chosen drawing mode.
Fixed issue where Unicode was not being properly saved to ChemDoodle Documents.
Fixed various issues associated with undo/redo when adding labels as substuents.
Identifiers set by ChemDoodle functions can no longer be incorrectly altered.
If an error is encountered during a file load, no new tab appearsThe first tab is not modified if it is the only one present.
Symbol font from ChemDraw files is now converted to Unicode upon readOutput will also be in Unicode, which is the correct practice.
Fixed problem where linear atom centers with non-Carbon labels could not be edited to become Carbons.
Fixed error where specific identifiers weren't being saved properly.
Fixed a few issues when setting filetype associations to the Windows registryOn Vista, you must install the file associations as administrator.
Fixed cutoff layout for line notation popups on Windows.
The Doodle Board is now correctly placed and sized upon startup on all resolutions.
Now correctly calculates scaling parameters during transforms.
Page margins now explicity set margin settings when printingNote that you cannot print outside of the intrinsic printer marginsTo use all the area the printer can print to, set all margins in ChemDoodle to 0.
Text components are now properly closed when switching between Doodle Sheets.
Empty content from widgets can no longer be dragged.
Removed gray lines that were bordering some bitmap images copied to the system clipboard.
Fixed issue where modifier keys were not registering if the mouse pointer was not located above the Doodle Sheet.
Fixed issue where documents printed with missing content when an image was present on Windows and Linux.
Fixed error that occured when a history action was performed while using the pen tool.
Fixed error when only a single atom was conformed to preferences.
Fixed issue where purging the history prevents the save data warning from appearing when closing a Doodle Sheet.
Fixed issue where the transform tool doesn't select the previously last placed objects on the Doodle Board if the last object placed was deleted.
Fixed issue where shape orientations would sometimes flip when scaled.
Fixed minor issue where converting to CDX reported a non-existent problem.
Corrected issue where certain ChemDoodle Document properties were implied booleans instead of explicit booleans.
Fixed bug where forcing stereochemistry with no identifier set, but with wedge bonds present, caused errors if a bond was facing the wrong direction.
Fixed issue where text areas would act weird at scales other than 100%.
Fixed issue where not inputting a number into the mass number input window caused an error.
Corrected issue where the mass warning display wouldn't disappear, even if the warning was followed.
Fixed bug where overlapping atoms weren't being copied correctly.
On Macs, ChemDoodle will now check if it has been incorrectly removed from its parent folder.
Binary file read errors now display properly.
An empty file warning is now displayed when attempting to open a blank file.
Activation code failures are now unambiguously described.
Activation now fails if the preferences file cannot be written.
Error panes are now displayed if there was a problem encountered during activation, after the activation code is validated.
XYZ files are now interpreted in Angstroms.
Multiplets can now be correctly loaded back into the Multiplet Tool widget when using the right-click menu function.
Fixed issue with the Symbols widget where some symbols were not correctly correlated with an identical glyph in the hover preview.
Fixed problem encountered when saving files with dots in the paths causing some files to be saved in a parent directory of the chosen location with incorrect filenames.
3D coordinates are now centered and scaled properly.
Cancelling preferences changes to selected objects now works properly.
The last set printing orientation is now correctly remembered.
Corrected image rendering issue with significant bond overlap.
Solved tiff and bmp saving issues.
Fixed issue where drag and drop completion didn't reset the main cursor.
Fixed problem where a rejected drag and drop gesture caused poor UI responsiveness.
Fixed widescreen print centering issue that existed on Macs.
Fixed issue where plist changes were not being recognized in Mac apps.
Colors and fonts saved in preferences no longer affect toolbar buttons.
Correctly added trailing '...' to the end of certain right-click menu items.
All input and output streams are now buffered to improve performance.
The second '26' in the font size combobox is now correctly labeled '36'.
A monospaced font is now used when displaying plain text in ChemDoodle, such as the README file.
Minor graphical improvements.
Minor lexical corrections.
Eliminated several minor errors.

New in ChemDoodle 1.4.0 (Dec 20, 2008)

This release contains full access to the PubChem database, stereochemistry functions, new identifier objects, 3D functions, an enhanced menu system, improved widget controls, new object properties, and much more.
Additions:
The MolGrabber widget has been completely redone and now contains a full and direct connection to PubChem. You may now search through a database of over 20 million predrawn structures to use in your documents. The ability to handle large numbers of results has also been improved. Properties from PubChem can also be displayed with the new Show Associated Data button. All work is now multi-threaded for excellent performance while a spinner keeps you updated of the progress. You may read more about this feature here.
Stereochemistry can now be discovered and assigned. These functions are accessable in the new Structure menu and in the right-click menu after lassoing structures. You may search structures for chiral carbons and assign CIP R/S identifiers to them. You may also search structures for asymmetrical double bonds and assign CIP E/Z or cis/trans identifiers to them. You can also force stereochemistry on potential and assigned stereocenters. You may read more about this feature here. All stereochemistry objects have been included in our CDX/CDXML interpreters.
New objects called Identifiers can now be associated with objects. Identifiers are both logically and spatially associated to an object so that they can be moved only within a certain radius of the object they describe. You may add bulk identifiers with some of the chemical functions provided in ChemDoodle. You may also add individual identifiers by right-clicking on an object and selecting the Add Identifier menu item. Each identifier has display content and a name. A name should be unique to a group of identifiers so you may use more advanced queries and functions later. The identifier binding distance can be changed in the Preferences window under the Visuals tab. You may read more about this feature here.
3D coordinates for structures are now supported. There is a new button in the Functions toolbar for allowing you to rotate structures in three dimensions. ChemDoodle will read and write 3D coordinates to all chemical filetypes. You may read more about this feature here.
Bond angles and bond lengths can now be separately locked. The shift key toggles bond length locking, while the alt key toggles bond angle locking. The Preferences window contains options for the default behavior for adding bonds. You may read more about this feature here.
The alt key, when held, will allow you to select an entire molecule in select-one mode when a constituent atom is clicked. It can be used in conjunction with the shift key to add and remove entire molecules from the lasso.
Menu System:
The menu system has been dramatically improved. There are two new menus, Content and Structure. The Options menu has been removed and its functions redistributed. The Content menu contains functions for manipulating objects on the Doodle Sheet while the Structure menu contains chemical functions.
A new Convert menu item has been included for converting chemical files between the formats recognized by ChemDoodle. (File)
A new Actual Size function for negating zoom effects. (View)
A new Current Selection function for centering the currently selected objects in the view of the Doodle Board. (View)
Added a new Doodle Sheet guide to specify the boundaries of the page margins. (View)
There are new functions for aligning and distributing objects on the page. The distribution functions can also be done with more precision by specifying certain parameters if you choose to supply them. (Content)
There are new functions for selecting objects on the page. You may select the previously lassoed objects, the next molecule, or the inverse of the currently lassoed objects. (Content)
New Deselect and Reselect menu items. (Content)
A new Join function for combining two atoms into one. (Content)
New Add Frame functions for surrounding the currently selected objects with various frames. (Content)
The Add Hydrogens function can now be applied to specifically lassoed structures or to the entire contents of the Doodle Sheet. (Structure)
The Generate SMILES String function of the right-click menu is now mirrored in the Structure menu. (Structure)
The Add Abbreviation function of the right-click menu is now mirrored in the Structure menu. (Structure)
Object Properties:
Atoms, bonds and identifiers now have their own formatting window, just like shapes. You may access this window in the right-click menu or by double-clicking on the object.
Atoms and bonds now contain their own set of properties, so they do not need to match the currently assigned chemical document settings. When an object is first placed, it will inherit all of the properties of the currently assigned chemical document settings. You may then alter the object's properties by right-clicking on it and then selecting the Format Object menu item.
There is a new button located in the Functions toolbar that will conform lassoed objects to the currently selected chemical document settings.
There is now a new Atom Label Buffer property in the Preferences window under the Visuals tab. This buffer controls how closely bonds will draw to an atom's text.
There is now a new bond Overlap Buffer Space property in the Preferences window under the Visuals tab. This buffer controls how much whitespace will be "erased" from bonds located underneath other bonds. This property can also be disabled.
Added a new Double Bond Asymmetry option to allow double bonds to be rendered off-center if that bond connects two Carbons.
ChemDoodle Documents now save the Ignore Warnings property of atoms. Object warnings can be rechecked again if you select the new right-click menu item, Check for Warnings.
All compatible properties have been included in our CDX/CDXML interpreters.
The XYZ format can now be read and written. Several options are included for this format, such as which atom identifier to use and whether to buffer this identifier. These options can be specified in the Preferences window under the Saving tab.
SVG and Adobe PDF graphics can now be displayed so you may add vector graphics to your figures.
Added a new Snap to Grid option in the Preferences window. You can snap to either a 5 pixel or 10 pixel grid (or none, of course).
Widgets are now resizable. The maximize button will now expand the widget to the largest practical size, or reduce it and replace it to its starting position and size. Windows and Linux frame icons have been changed to more naturally match their native look and feel.
Specific image types can now be placed onto and retrieved from the System Clipboard in addition to the generic java image. These types include png, gif, jpg, ppm, tiff and bmp. The only ones pasted by default are the generic java image and bmp (for OpenOffice compatibility). You may change these options in the Preferences window under the Advanced tab.
When conforming objects to chemical document settings, you will now be asked if you would like to change the fonts of the objects along with being asked if you would like to scale them.
When zooming in and out, the currently lassoed objects will be centered in the view of the Doodle Board. If no objects are lassoed, all objects will be centered in the view of the Doodle Board.
If either of the affine transformation tools or the lasso tools are selected, the last object or structure added to the Doodle Sheet will be selected. If you double-click on the Doodle Sheet in the 2D affine transformation mode, the lasso will now be emptied.
Templates now auto-connect to nearby atoms just like rings do. Auto-connect can now be disabled in the Preferences window under the General tab.
XML file parsing errors are now displayed in an error message pane when trying to load XML chemical filetypes.
Added more greek symbols to the Symbols widget. Increased the size of the symbol preview box. Elements will now also display a preview.
Added symbols that are added to objects as identifiers. The symbols include lone electron, electron pair, radical cation and radical anion. You can use these to help you create Lewis Dot Structures. Note that a new Lewis Dot Structure widget is under development.
Added a nucleotide template pack.
Colors may now be set separately to different text types. There are new choices governed by the Color Selection button for Shape Text, Atom Text and Identifier Text.
Colors are now associated with Chemical Document Settings files.
ChemDoodle's main color may now be changed in the Preferences window under the General tab. Pale colors lead to better results. You must restart ChemDoodle for this change to take full effect.
Updated README.txt and the tutorial.
SMILES Issues:
Fixed problematic SMILES generation when molecules contained complex fused rings.
Fixed problem where non-organic group elements were incorrectly written.
Removed some uneccesary parenthesis in results.
Results now displayed in a scrolling text pane so long results are not cut off when selecting the Generate SMILES String menu items.
Fixed problem where no string would be generated if a single atom had an unreasonably large number of bonds connected to it.
Fixed SMILES widget issue where warnings were not being reset if a new molecule was dragged into it.
Fixes:
ChemDoodle now asks before setting itself as the default editor for chemical filetypes on Windows. You will be presented with a checklist of all compatible chemical filetypes. Uncheck all you do not want to have associated with ChemDoodle.
Doublet radicals combined with a + or - charge will be merged into a radical cation or radical anion respectively for ChemDraw files.
The Format toolbar's font chooser is now updated when loading CDX/CDXML files.
Fixed a few problems regarding property parsing in MDL SDFiles. Added the alias property to the MDL MOLFile.
Improved CML interpretation. Compatible stereochemistry is now read and written. Data arrays attributes are now read. Added support for a few less common attributes.
Switching between portrait and lanscape modes for printing no longer affects the Doodle Sheet.
The wavy line property for reaction arrows now has the appropriate affect.
Some infrequent problems with the Stack function have been fixed. Shapes can also be stacked now. The stack page padding is now the margins of the Doodle Sheet.
Fixed problem where dropping objects on the Doodle Sheet when zoomed placed the object in that corresponding place if the sheet was not zoomed. Dragging objects off of a zoomed Doodle Sheet has also been fixed.
Fixed issue where the Paste functions were not being enabled if the System Clipboard was blank while ChemDoodle was loading.
Fixed the 180° rotation function.
Fixed default size of the Doodle Board on small screen resolutions.
Scaling now only affects lassoed objects if conforming only those objects.
Fixed the calculation of the number of hydrogens to add into a label if in strict hydrogen mode and Add Hydrogens as Text is selected.
Fixed problem where Guideline options did not mirror the actual display if the current preferences were reset.
Conforming chemical document settings actions to objects and the Doodle Sheet can now be undone.
Applying CSS to HTML areas can now be undone.
Fixed problem where changing a bond's color was not undone properly.
Improved the algorithm for calculating the optimal angle to add bonds too. Fixed issue where the optimal angle was incorrect for horizontal bonds.
File extensions containing capitals are now handled correctly.
The About ChemDoodle window has been dramatically improved.
Fixed problem where removing hydrogens couldn't be undone when removing from a lassoed structure.
Fixed issue where sometimes the shift key wasn't recognized when pressed.
Fixed dimension issues for bonds and atoms.
Double-clicking on a label will now open its editor.
Fixed problem where the hash properties of objects weren't being loaded properly in the Format Bond window.
Improved the look of bond breakers by centering them correctly.
Page dimensions for postscript files are now set properly.
Fixed problem where selecting the Use Circles option for atoms did not result in the desired effects if User Chosen colors was selected.
Fixed problem where rarely an object would be focused in an image.
Fixed problem where copying a single shape did not work. Chemical types are no longer placed on the System Clipboard if selected objects do not contain chemical objects.
Improved drag-and-drop compatibility with files from the file system.
Image border properties are now set properly.
Changed the Multiplet Tool widget's icon so that it's more recognizable.
Scale anchors for the lasso are now only displayed in the 2D affine transformation state.
Improved Application loading speed.
Updated all CDS files.
Minor graphical enhancements and fixes.
Minor textual fixes.

ChemDoodle Changelog

What's new in ChemDoodle 9.1.0

New in ChemDoodle 9.0.3 (Jul 28, 2018)

New in ChemDoodle 9.0.2 (May 17, 2018)

New in ChemDoodle 9.0.1 (May 6, 2018)

New in ChemDoodle 9.0.0 (Apr 21, 2018)

New in ChemDoodle 8.1.0 (Dec 20, 2016)

New in ChemDoodle 7.0.2 (Dec 20, 2014)

New in ChemDoodle 7.0.1 (Oct 8, 2014)

New in ChemDoodle 7.0.0 (Sep 5, 2014)

New in ChemDoodle 6.0.1 (Jun 9, 2014)

New in ChemDoodle 6.0.0 (Dec 2, 2013)

New in ChemDoodle 5.1.0 (Apr 27, 2013)

New in ChemDoodle 5.0.1 (Dec 7, 2012)

New in ChemDoodle 5.0.0 (Nov 1, 2012)

New in ChemDoodle 4.1.1 (Dec 7, 2011)

New in ChemDoodle 4.1.0 (Nov 17, 2011)

New in ChemDoodle 4.0.0 (Sep 21, 2011)

New in ChemDoodle 3.3.1 (Jan 28, 2011)

New in ChemDoodle 3.3.0 (Oct 25, 2010)

New in ChemDoodle 3.2.1 (Sep 6, 2010)

New in ChemDoodle 3.2.0 (Jul 30, 2010)

New in ChemDoodle 3.1.0 (Jun 18, 2010)

New in ChemDoodle 3.0.0 (May 25, 2010)

New in ChemDoodle 2.0.5 (Dec 21, 2009)

New in ChemDoodle 2.0.4 (Dec 19, 2009)

New in ChemDoodle 2.0.2 (Jun 22, 2009)

New in ChemDoodle 2.0.1 (Jun 15, 2009)

New in ChemDoodle 2.0.0 (May 28, 2009)

New in ChemDoodle 1.4.0 (Dec 20, 2008)

New in ChemDoodle 1.3.1 (Oct 21, 2008)