Project Data page

The Project Data page is the hub for each project. Collections, datasets, and raw data files are accessible here. These are displayed in chronological order by default, but many other sorting and filtering options are available. The primary descriptive annotation of collections, datasets, and files is the tag. Every file or dataset automatically has system tags in addition to any tags that users have added. Files are uploaded to the Project Data page and converted to datasets, while datasets can be saved and downloaded in the usual molecular formats.

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Orion provides automatic intra-spection of files: hovering gives a depiction of the first structure if the file contains small molecules or a protein schematic if amino acids are present. Selecting one or more datasets creates an active dataset. Active datasets are carried forward to any Feature Domain (e.g., moving to the Analyze page automatically populates the spreadsheet). The Project Data page also shows which filters are currently applied to the active data.

Project Data Page Layout

Name

Description

Active Data Menu

Displays summary information of active datasets, the number of records/molecules included in all datasets,

the numbers of records/molecules passing the current filters, and the number of molecules selected.

Filters can be accessed and applied to the active data.

Show Dropdown

Allows users to choose from collections, datasets, and files.

Source Dropdown

Allows users to switch between project datasets/files and Organization Data.

Search

Allows users to search for collections, datasets, or files by name or tag.

Upload

Allows users to upload files.

Datasets Table

Lists project datasets, in chronological order. View, Active, Name, Records, Owner, Date Created, Share, Tags,

and Actions columns are displayed by default.

Trash Can

Allows users to delete a dataset. To restore the dataset, click on the Trash Can, select the dataset, and then click Undelete.

Tags List

Displays user, project, and system tags. Tags can be managed, edited, or removed using the Manage My Tags function.

Hint

  • To use a dataset, first activate it using the toggle button in the Active column. Active datasets can be turned on or off using the Datasets tab in the Active Data menu.

  • Datasets can be copied, downloaded, renamed, deleted, or sent to a Floe..

Another form of intra-spection is available for small molecule files: the Card View. Card View is a virtual Feature Domain—on completion of the browsing of structures, users are returned to the originating page. Card View is activated by clicking on the 4 squares icon next to a dataset.

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Card View displays a panel list of structures, whether in 2D or 3D, and with associated properties. It can be configured to display single structures, a side-by-side view, or a panel list. Lists can be ordered by properties that can be selected from all those available within the dataset. It is designed for fast traversal; selected structures can form the basis of a selected set on leaving the page.

Note

  • Datasets are stored within an AWS Postgres database. Files and collections are stored on AWS S3. If datasets, files, or collections are deleted, they are sent to the Trash Can. Anything in the Trash Can is deleted automatically after 30 days. In addition, users can delete items in the Trash Can immediately by selecting the “Delete permanently” option. Please consult the Orion Admin Guide for further details.