July 9, 2019

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  1. CAS STNext
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  4. 2019

July 9, 2019

  • Updated
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Structure Editor, Query Summary File, and Performance Improvements

Structure Editor

This release updates the Structure Editor workflows described below.

Update Before After
Button Alignments

Clicking Save & Upload saves the structure with the system default name and uploads the structure.

July-2019-1.png

Clicking Upload saves the structure with system default name and uploads the structure.

July-2019-2.png
Save As
  • The filename is blank.
  • Clicking Save As saves the file and closes the Structure Editor window.
  • The user had to navigate to structures page to upload the structure.

July-2019-3.png
  • Save As window now prepopulates with the system default name.
  • Clicking Save closes the window and returns user to Structure Editor.
  • User can upload the structure by clicking Upload.

July-2019-4.png
Structure Upload Message

When structure is uploaded in a non-structure search based file (such as HOME), the user would see the “Uploading structure file” message along with attribute information.

July-2019-5.png

When structure is uploaded in a non-structure search based file (such as HOME), the user will see “THIS COMMAND NOT AVAILABLE IN THE CURRENT FILE” message.

July-2019-6.png

There are two other updates to the Structure Editor in this release:

  • Thiol shortcuts:
    • When the user creates a structure with a thiol shortcut, the shortcut is locked by default to prevent unexpected results such as R-SO2NH functional groups rather than the R-SH.
    • The lock can be overridden (unlocked) with the Lock Atoms tool.
  • Phenylene shortcuts:
    • Phenylene shortcuts are not locked in STNext; the Lock Atoms tool will have no effect on the shortcut.
    • If the imported structure it contains a locked phenylene shortcut, the lock attribute is ignored.

Query Summary File

his release includes changes to STNext that will automatically issue a SET LHIST ON at the start of a session if the user has the Query Summary File Download setting ON but their Logoff History (LHIST) is OFF.

This new change will prevent users that previously set their Query Summary File Download setting ON, but did not change their Logoff History (LHIST) setting to ON.

Performance Improvements

This release includes performance improvements to structure upload.

With the changes, the total elapsed time to generate an L-number after initiating a upload is reduced by at least 20%.

A user with a slower network connection would see more improvements compared to a user with a faster network connection.