New Features

What's new in LiveDesign 2022-4

  • The number of logins is enforced by a license limit: Users who attempt to log in after the number of available seats have been assigned will be denied access to LiveDesign
  • Admins can forcibly log out users: Users can be forcibly logged out by removing their assigned Roles, or by specifying a specific username
  • File Import Receipt: Receive feedback on file imports when the file contains errors, and instructions on how to correct the errors
  • Sketcher Improvements:
    • Implicit mode sketcher: Quickly switch between editing compounds and selecting a subset of the compound, by clicking directly on the select tools and draw tools
    • Delete an atom by hovering over it and pressing the Backspace key on the keyboard
  • Setting a protocol's parameter to "Set Default" in the admin panel changes all existing models' parameter to "Set Fixed"
  • Interaction Surface within LigandDesigner: view the interaction surface to determine available growth space within a binding pocket
  • Copying a single compound from the spreadsheet can be copied in a Mol v3000 format: a server wide setting permits copying a single molecule as either Extended SMILES or Mol v3000. Selecting and copying multiple compounds as once will copy the compounds using a SMILES format
  • Freeform column picklist options can be reordered: Editing a Freeform column definition permits reordering the picklist options
  • UI Improvements
    • View more tiles on screen in Tile View, which has a much smaller tile size limit
    • View more data in a spreadsheet cell; the "More Available..." message within spreadsheet cells has been replaced with a gradient to indicate additional data is in the cell
    • Users can use Ctrl-Click to easily display results from additional 3D models in the 3D visualizer.
    • Exported compound structure images will now include stereochemistry labels if these are turned on in the spreadsheet.

What's Been Fixed

  • Model columns can now be sorted and filtered when the cell contains both blank values and numeric or string values. Sorting will use the first non-empty value in the cell.
  • Advanced searches with multiple Freeform column conditions return the same results even if the condition order is changed
  • Compound images no longer show large atom labels when clicking on them within the main spreadsheet
  • Project admins can edit all formulas within their projects
  • Pinned plot tooltips in the visualize panel will reappear even after switching to another plot or another LiveReport
  • Deleted LiveReports cannot be reopened by navigating directly to the LiveReport's URL
  • Pinned plot tooltips in forms update the connecting line when the view is resized
  • Pasting multiple values into Filters will, once again, attempt to automatically identify the delimiter, or present an option to select the delimiter, by which to separate values.
  • The LiveReport Manager dialog no longer obscures the last LiveReport with a horizontal scroll bar
  • Bond angles for attachment points and carbon atoms from R-group decompositions are now displayed as angles of less than 180 degrees, while before they were displayed at a 180 degree angle
  • LiveReports with 3D model returns no longer show a red error bar after opening
  • Commons-text has been upgraded to patch security vulnerability CVE-2022-42889
  • The 3D visualizer uses the high performance GPU on client computers to avoid crashes
  • Formula results no longer disappear from the spreadsheet when columns used in the formula are hidden in the LiveReport
  • The matched molecular pairs tool no longer fails to parse chiral compounds represented in an Extended SMILES format
  • Error messages no longer sporadically appear when models are updated and saved in the Admin Panel
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