ChemDoodle

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Version 11.2.0:

  • ChemDoodle Mobile is the iPhone and iPad companion to the popular chemical publishing desktop application, ChemDoodle. ChemDoodle Mobile is a calculator for drawn organic structures. There are four main windows: Draw, Calculate, Spectra and Help. The Draw window shows a typical ChemDoodle sketcher, where you can draw and store your structures.
  • The following is an examples illustrate the three possible ChemDoodle canvas options. With a ChemDoodle Perspective canvas you can zoom in and adjust the scale of the spectra. This plugin adopts the same license that Moodle does. The ChemDoodle Web Components are included in this package which are under a GPLv3 license.
  • ChemDoodle Sketcher lets you draw the structural formula of a molecule by adding atoms, bonds, and rings to your model using the buttons at the top. A question might begin with the ChemDoodle Sketcher displaying a single atom, an undefined dot, or a model that is nearly complete for you to finish.

ChemDoodle proved stable enough to handle almost everything thrown at it, manipulating maitotoxin – a molecule with 32 rings and 98 stereocenters – in three dimensions without complaint. However, there was a noticeable slowdown when editing a large file of about 60 complex molecules, which made editing the structures cumbersome.

Additions
  • Recover chemical figures and drawings pasted into 3rd party applications, like a word processor, by other chemical software where chemical data was embedded. Simply copy the figure in the 3rd party application and paste into ChemDoodle to recover the original drawing for further editing. This works on both Windows and macOS, as long as the original image was embedded on the same operating system. See section 15.7 of the ChemDoodle 2D User Guide for more information.
  • The ability to scan Microsoft Office documents for chemical data has been completed and is no longer an experimental feature. On any operating system you run ChemDoodle on, you will now be able to extract chemical data from Microsoft Office files, even if you do not have access to the original chemical program or Microsoft Office. You can finally collaborate with chemists in creating documents even if they use a different operating system.
  • You can now copy and paste CDX and CDXML data directly into ChemDoodle on both Windows and macOS.
  • CDX and CDXML data can now be recovered from EMF and PDF files, regardless of operating system, by opening them in ChemDoodle.
  • A significant amount of work has been invested in our already very thorough CDX and CDXML file handling, with a focus on pixel-perfect interpretation. Better support for all kinds of arrows, including bold, equilibrium and retrosynthetic; also improved arrowhead sizing. Support for faded colors in shapes. Improved adherence to double bond orientations. Text placement has been made much more accurate, including rotated text. Much better handling of symbol attributes. Isotope mass values are no longer added for deuterium and tritium labels, as they are not present in the original render. Arc input has been fixed with end points and angles now correctly interpreted, and elliptical arcs are input as well.
  • There is a new CDX and CDXML file option to suppress the load of invisible atoms (no labels or bonds attached). This option is enabled by default and can be disabled in the Preferences window, under the Files tab.
  • CDX and CDXML pages are now combined on load by default. You may still have pages separated on load by changing the settings in the Preferences window, under the Files tab.
  • Monoisotopic mass is now the default calculation for mass fragmentation tools.
Fixes
  • On macOS, PDF was not recognized from the system clipboard until an initial copy was executed from ChemDoodle. This has been corrected.
  • Fixed problem where unknown CDX objects would stop CDX file reading, leading to missing data from the file.
  • Fixed error where molecule highlight shapes with no fills or borders rendered would cause selection problems.
  • Fixed bug where ChemDoodle JSON query variables were incorrectly negated on read.
  • Corrected rare issue where stoichiometry tables were being corrupted on input, leading to the containing file not being read properly. This update fixes the issue and those files should now open without problems.
Version 11.2.0: Chemdoodle web components

Chemdoodle 9

Additions
  • Recover chemical figures and drawings pasted into 3rd party applications, like a word processor, by other chemical software where chemical data was embedded. Simply copy the figure in the 3rd party application and paste into ChemDoodle to recover the original drawing for further editing. This works on both Windows and macOS, as long as the original image was embedded on the same operating system. See section 15.7 of the ChemDoodle 2D User Guide for more information.
  • The ability to scan Microsoft Office documents for chemical data has been completed and is no longer an experimental feature. On any operating system you run ChemDoodle on, you will now be able to extract chemical data from Microsoft Office files, even if you do not have access to the original chemical program or Microsoft Office. You can finally collaborate with chemists in creating documents even if they use a different operating system.
  • You can now copy and paste CDX and CDXML data directly into ChemDoodle on both Windows and macOS.
  • CDX and CDXML data can now be recovered from EMF and PDF files, regardless of operating system, by opening them in ChemDoodle.
  • A significant amount of work has been invested in our already very thorough CDX and CDXML file handling, with a focus on pixel-perfect interpretation. Better support for all kinds of arrows, including bold, equilibrium and retrosynthetic; also improved arrowhead sizing. Support for faded colors in shapes. Improved adherence to double bond orientations. Text placement has been made much more accurate, including rotated text. Much better handling of symbol attributes. Isotope mass values are no longer added for deuterium and tritium labels, as they are not present in the original render. Arc input has been fixed with end points and angles now correctly interpreted, and elliptical arcs are input as well.
  • There is a new CDX and CDXML file option to suppress the load of invisible atoms (no labels or bonds attached). This option is enabled by default and can be disabled in the Preferences window, under the Files tab.
  • CDX and CDXML pages are now combined on load by default. You may still have pages separated on load by changing the settings in the Preferences window, under the Files tab.
  • Monoisotopic mass is now the default calculation for mass fragmentation tools.

Chemdoodle Mobile

Fixes

Chemdoodle

  • On macOS, PDF was not recognized from the system clipboard until an initial copy was executed from ChemDoodle. This has been corrected.
  • Fixed problem where unknown CDX objects would stop CDX file reading, leading to missing data from the file.
  • Fixed error where molecule highlight shapes with no fills or borders rendered would cause selection problems.
  • Fixed bug where ChemDoodle JSON query variables were incorrectly negated on read.
  • Corrected rare issue where stoichiometry tables were being corrupted on input, leading to the containing file not being read properly. This update fixes the issue and those files should now open without problems.