2019.4.1 Release

Highlights

  • Orion now supports Multi-Factor Authentication (MFA).

  • The 2D Sketcher is now available on the Project Data page.

  • Estimated job costs are now available in real time.

General

New Features

  • Orion now supports Multi-Factor Authentication (MFA). MFA is configurable on a per-organization basis.

  • Estimated costs for running jobs are now available. Users can now monitor the estimated cost as a job progresses. The total cost is presented once the job is finalized.

  • Notifications for failed jobs are now clearer and make the failure obvious.

Major Bug Fixes

  • A bug that affected Orion’s auto-logout behavior when the session duration was set to 0 has been fixed. Users are no longer logged out automatically when the timeout is set to 0 on the backend.

Minor Bug Fixes

  • An issue that sometimes allowed filtering on star rating to optionally let unrated molecules pass has been fixed.

  • A bug that caused certain sharing notifications to be displayed as undefined has been fixed.

Home

New Features

  • Minor improvements have been made to the way projects are handled and displayed.

Minor Bug Fixes

  • An issue that caused project names deleted from the Home page to remain in the Project Summary list has been fixed.

Project Summary

New Features

  • Minor improvements have been made to the way projects are handled on the Project Summary page.

Project Data

New Features

  • The 2D Sketcher is now available on the Project Data page. Users can sketch one or more structures and add them to the current project as a new dataset. To convert the 2D structure into a 3D structure, users can simply run the Classic Generate3D Floe.

  • Job tags now link to the associated job on the Jobs page.

  • Users can now open Floe Reports from the Project Data page. In addition, users can now share Floe Reports with other users.

  • Managing dataset tags displayed in the Tags column has been simplified.

  • A column that shows the state of a file has been added to the Files table. Currently, the available states include “error”, “processing”, and “ready”.

Major Bug Fixes

  • A bug that broke the Card View layout for datasets with long column names has been fixed.

Minor Bug Fixes

  • An error that occurred when users attempted to rename datasets for which they did not have write permission has been fixed.

3D Viewer

New Features

  • A new triage/pinning tool has been added to the 3D Modeling page.

Major Bug Fixes

  • An issue that caused the 3D Editor to become unresponsive when Selection was set to residue mode has been fixed. This issue manifested when users would lasso several atoms and then attempt to minimize the structure or explore the conformers.

  • An issue that prevented deleting an atom or bond when the Selection mode was set to Molecule has been fixed.

Minor Bug Fixes

  • A bug that prevented Rating tools to be visible for unrated molecules when hovering on the molecule name in the list pane has been fixed.

  • The parent molecule is now hidden when a structure is being edited.

Analyze

New Features

  • Users can now add error bars to scatter plots for columns with the appropriate metadata flag.

  • Users can now choose a plot type before the initial plot loads for datasets containing more than 1000 records.

Major Bug Fixes

  • A scatter plot for molecules with child conformers with attached conformer records can now be plotted.

  • The Property calculator now computes as many properties as feasible and displays more information about the fraction calculated.

Minor Bug Fixes

  • Points can now be selected in box and violin plots.

Iterative Design

New Features

  • Switching to a new Iterative Design session without first selecting structures will now prompt users to select data from the Project Data page.

Floe UI

New Features

  • Floe Editor:

    • Undo/redo is now available.

    • Cubes can now be copied and pasted.

    • Clicking and panning is now the default setting in the Floe Editor. Selections can be made using modifier keys.

  • Jobs page:

    • Port count numbers are now better formatted.

  • Floes:

    • A My Floes filter has been added to the Available Floes page.

Major Bug Fixes

  • Floe Editor:

    • A bug that caused the Floe Editor to crash while loading a Floe whose name is prefixed with a number has been fixed.

    • A valid connection between Cube ports no longer triggers a warning.

    • The mini-map zoomed-in rectangle can no longer be dragged beyond the viewable Cubes region.

    • An issue that caused some input parameters for rerun jobs to be omitted has been resolved.

Minor Bug Fixes

  • Floe Editor:

    • Job durations are now more precise.

    • A bug that caused the layout to auto-zoom after dragging and dropping a Cube has been fixed.

    • In certain situations, resizing a running Floe could miscolor the Cubes. This issue is now resolved.

Data Sources

New Features

  • Ligands from MMDS can now be send directly to FastROCS. Please consult the MMDS documentation for more details.

Admin Mode

New Features

  • Scaling Groups:

    • Hovering over a Scaling group chart or pictogram now shows a tooltip.

  • Features:

    • Disabling the Floe Editor also disables the Package Upload page. Only Orion organization admins can do this.

  • Cost Accounting:

    • Users can now search by user or project.