Effortlessly Manage Cloud Jobs in Molecular Modeling

For molecular modelers, efficiently managing cloud computations is vital for tasks like protein structure prediction and molecular dynamics simulations. But once a job is launched in the cloud, the challenge lies in overseeing its progress, ensuring smooth execution, and accessing results seamlessly. This is where SAMSON’s Job Manager shines as a user-friendly solution to manage cloud jobs effectively.

What Is the Job Manager?

The Job Manager in SAMSON allows you to handle cloud-based jobs effortlessly. From creating jobs to executing them in the cloud, the Job Manager ensures you have full control over your molecular modeling tasks. Operations like starting, pausing, and stopping jobs are streamlined, and monitoring progress becomes straightforward.

Job manager

What Can You Do With the Job Manager?

The Job Manager is designed to make your workflow smoother. Here are its key features:

  • Create jobs for extensions, such as tasks leveraging AlphaFold or GROMACS.
  • Manage job execution—start, pause, or stop jobs with ease, and monitor progress in real time.
  • Retrieve results directly into SAMSON for further exploration.
  • Edit job names and add notes, which sync automatically with your SAMSON Connect account.

Take a closer look at how you can view job details and sync notes:

Job details

Job notes

Seamless Access to Results

One of the most appreciated features is the ability to download all job files simply by double-clicking a job. The process is quick, allowing you to continue analyzing your results without unnecessary delays. Here’s a visual guide to the process:

Job manager - Download jobs

Enhanced Job Context Menu

For those handling multiple jobs, the Job Manager provides a robust Context Menu to access both local and remote files effortlessly. This menu also links directly to the SAMSON Connect view, ensuring you collaborate efficiently with your team. Here’s a snapshot of the Context Menu:

Job manager - Context menu

Learn More About Launching Jobs

If you’re curious about how to launch jobs in the cloud, for example using GROMACS, the SAMSON documentation offers an excellent dedicated tutorial. These resources ensure that both novice and experienced users can navigate these features with confidence.

To explore these tools further, visit the official documentation page: Cloud Computations Documentation.

Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get started today at https://www.samson-connect.net.

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