Floe Page

Floes are the core of Orion. Floes are constructed of cubes, which are small programming elements. Floes and cubes are uploaded and incorporated into Orion as tar packages or docker images. (See the development instructions in the Programming Guide for more information about packaging.) When loaded, Floes can be shared like any other dataset. Uploaded Floes are found in and run from the Floes tab and the Editor tab. In the former, they can also be assigned to other feature domains.

_images/workfloe.png

When a Floe is launched, its progress can be followed graphically and in real time. A Floe in progress is shown in the Jobs tab, with different colors indicating the status of the cubes.

_images/FIP.png

A floe in progress

_images/cubecolormeaning.png

A cost analysis is available before, during, and after each floe. After each floe completes, a notification occurs (also potentially an email or text) as well as possible output datasets and/or an HTML report file. A log file of the floe job is also presented.

Job cost alerts can be set globally for all floe runs in the Profile section. Users can modify job cost thresholds in the Job form before launching a floe, and during the run.

Specify a Path when Launching a Floe Run

A path or location can be specified in the job submission form. When launching a Floe run, you will see an Output path property field. The default path will be Project Name/My Data. You can type in a new directory name, which will be created when the output is written. To go up a directory, click on the up arrow or use the backspace key to move up one directory. Finally, select the path you want.

Find a Floe in Orion

You can find a particular floe, out of the many available, using the Floe page with these techniques:

  • Navigate to the floe using the categories in the left-hand pane.

    • The Created in Floe Editor category shows floes that do not have an associated package and thus were likely created in the Editor. See the Programming Guide for more information about the floe editor.

    • The Packages category groups floes according to the packages in which they are built. You may be familiar with this nomenclature from past releases. For example, selecting the package OpenEye Biomodeler Floes in the dropdown displays the floes associated with that package.

    • The Product-based category corresponds to the names of OpenEye products, such as BROOD. This category is one deep: if you select BROOD you will get the list of Floes associated with that product, displayed in the right-hand pane.

    • The Role-based, Solution-based, and Task-based categories are deeper, meaning you might go through one or more subcategories to get to a specific list of floes.

  • Search for the floe using the search bar labeled “Search floes and categories” in the right-hand pane. This search looks for the search term among the category terms and in the brief description of the floe. The brief appears in a list of floes; it is not the longer description that appears when you display an individual floe. The search should give you a concise list of relevant floes.

_images/floe-categories.png

You can search for floes or navigate to them by categories

_images/floe-category-navigation.png

Result of navigating to Solution-based / Hit to Lead / Affinity Prediction / Free-Energy Calculations