ChemDoodle 8.1 is Available!

11 July 2016
Category ChemDoodle
11 July 2016, Comments Comments Off

We are pleased to announce that ChemDoodle 8.1 is available. This is a significant minor update (details below). A number of issues brought to our attention have been addressed and several new features have been added. This update is free for all ChemDoodle 8 users! Just open ChemDoodle and follow the instructions to update.

Additions

  1. 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.
  2. Added Functions setting to use either the Bondi or current literature value for the van der Waals radius in the VABC calculator.
  3. Added support for implicit hydrogen overrides to all capable formats.
  4. Added some more recent elemental data.
  5. Updated and expanded vdW values.
  6. Added the latest new element names from IUPAC, completing the last row.
  7. Alpha colors are now stored in ChemDoodle Documents.
  8. 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.
  9. Auto-connect range when drawing rings, chains and templates is now controllable in General Preferences.
  10. Added option to suppress implicit hydrogens from groups 1-12.
  11. Functional hydrogen settings have been moved from Atom Visuals Preferences to Functions Preferences.
  12. Added more refined options for controlling double bond symmetry. Now terminal double bonds connected to a ring can be made symetrical as a case.
  13. Updated to OPSIN 2.1.
  14. OPSIN warnings now still produce a result and display an appropriate warning instead of failing.
  15. Added templates for tetroses.
  16. Keyboard shortcuts have been added for the atom label tool, so you can bold, italicize and underline text via the keyboard.

Fixes

  1. Added HTTPS support for NIH Cactus, returning functionality to the 3D clean tool.
  2. Corrected Elemental Analysis and Mass Parent Peak simulation results for structures with multiple charges.
  3. Addressed a number of issues for implicit hydrogen calculations in resonance systems.
  4. 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.
  5. Fixed bug where Preferences boolean button sets were flagging visuals changes for non-visual settings.
  6. Fixed incorrect behavior where General or Advanced Preferences settings were falsely notifying the user of style sheet changes.
  7. Fixed issue where output ChemDoodle 3D Scene (ic3) files from ChemDoodle were flipped on the y-axis.
  8. Corrected a number of minor graphical glitches with vertical connections and wedge/bold bonds.
  9. Closing the color select window no longer conforms colors, but does update the color button.
  10. Using the color scrubber of the Quick Colors button now also sets the selection to that color after choosing.
  11. Quick Colors button now correctly adjusts an entire label, even if chemical interpretation is off.
  12. Minor updates to the Periodic Table.
  13. The Center>Selection menu items are now correctly context sensitive.
  14. 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.
  15. Fixed rare crash that occured when Preferences bounds somehow ended up out of the defined bounds.
  16. Fixed some minor IUPAC naming issues.
  17. Isotopes from ChemDraw files are now displayed correctly.
  18. Isotope labels are now correctly accounted for in bond retraction.
  19. Ring, chain and template actions that don’t actually change the document are now ignored in history.
  20. Minor text sizing considerations and corrections.
  21. Kekulizer now ignores zero order bonds.
  22. Improved text layout in tabs not to overlap with close buttons.
  23. Restoring the document now correctly updates the History widget.
  24. Restoring the document now correctly clears the selection if there is one defined.
  25. Fixed issue where loading an autosave didn’t correctly enable the Restore menu item.
  26. Fixed issue where dialogs were not reappearing after being deiconified.
  27. Carbon labels will now be displayed in the implicit hydrogen count is overridden to 0.
  28. Fixed the Login window cutoff.
  29. Completely uppercase element symbols are now correctly handled when reading in MDL CT files.