Molecular modeling often involves computationally intensive tasks like protein structure prediction or molecular dynamics simulations. Such tasks can be time-consuming and resource-heavy if run locally, especially if your hardware is not equipped to handle the load. This is where cloud computations can offer a practical solution, making complex modeling workflows more accessible and efficient. With SAMSON’s Job Manager, running, monitoring, and managing these cloud-based tasks has never been easier.
Streamline Cloud-Based Computations
SAMSON enables you to leverage cloud computing for specific tasks, such as using AlphaFold for protein structure prediction or running molecular dynamics simulations with GROMACS. This feature not only reduces the strain on your local machine but also provides faster and more scalable computations.
The Job Manager serves as the heart of SAMSON’s cloud computing capability, helping users manage their jobs efficiently. Whether starting a new computation, pausing existing tasks, or monitoring their progress, the Job Manager provides a clear and user-friendly interface.
What the Job Manager Offers
The Job Manager provides a wealth of functionality designed to make your computational workflow seamless:
- Create jobs within SAMSON for extensions that support cloud capabilities.
- Execute tasks in the cloud, with options to start, pause, or stop jobs, and monitor their progress in real-time.
- Get results directly back into SAMSON, ensuring a streamlined workflow from start to finish.
When you select a running job in the Job Manager, detailed information is conveniently displayed on the right side of the interface:
Editing, Downloading, and Accessing Results
SAMSON understands that flexibility is key for researchers. With the Job Manager, you can:
- Edit job names and add notes that automatically sync with your SAMSON Connect account.
- Access your job’s context menu for quick actions. This menu enables access to local files (downloaded previously), remote files (stored in the cloud), or the job view on SAMSON Connect.
For instance, downloading all files related to a job is as simple as double-clicking the job in the Job Manager:
Collaboration and Sharing
Collaboration is integral to any scientific work, and SAMSON makes sharing cloud-based jobs effortless. Through SAMSON Connect, you can control access to your completed tasks and results, ensuring your team stays connected and productive.
Additionally, you can view and share job results directly from SAMSON Connect. To learn more about these features, refer to the dedicated section on Collaboration – Viewing and sharing jobs on SAMSON Connect.
Learn More and Start Streamlining Your Workflows
If you’re ready to optimize your molecular modeling tasks with the power of SAMSON’s cloud-based Job Manager, visit the official documentation page for detailed instructions.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.