For molecular modelers, one of the most common tasks is efficiently loading molecular structures into modeling software. Whether you’re just starting your project or switching between molecules, SAMSON offers a robust and user-friendly approach to get your structures ready in no time. Let’s explore how you can take full advantage of this feature.
Why Efficient File Loading Matters
In a molecular modeling workflow, time is critical. Minimizing the time spent opening and managing files allows researchers to focus more on analyzing, editing, or simulating their structures. SAMSON simplifies this task, allowing seamless transitions between files and ensuring compatibility across various molecular formats.
Opening Molecular Files in SAMSON
Loading molecules in SAMSON has been designed to be intuitive and straightforward:
- Navigate to Home > File > Open.
- You can also use shortcuts:
Ctrl + Oon Windows and Linux, orCmd + Oon Mac.
To save even more time, use the Home > File > Recent option to quickly reopen previously used files without having to navigate your directories.
Supported Formats and Importers
SAMSON supports a wide range of molecular file formats, including PDB, mmCIF, MMTF, and more. By default, it comes with built-in importers for many standard formats. When you open a file, SAMSON will automatically choose the appropriate importer based on the format of the file.
If you require additional importers to open specialized formats, you can find them on the Marketplace available via SAMSON Connect. Installing these importers expands the range of compatible molecular data types, giving you the flexibility to handle diverse datasets.
Customizing Importer Settings
One of SAMSON’s standout features is the ability to adjust importer settings to meet specific project requirements. When using an importer for the first time, default parameters are applied. If needed, you can modify these settings for your particular needs. Once saved, SAMSON will remember these settings for all future imports.
For example, when loading PDB files, the importer may ask you to specify parameters such as the dataset type or additional formatting options. The process is straightforward, with a dialog box guiding you through necessary adjustments. Here’s an example of the interface:
Loading Data from Online Resources
SAMSON also provides tools for fetching molecular structures directly from online resources, such as the RCSB Protein Data Bank. Use the Fetch Structures app (found under Home > Fetch) to conveniently download files in supported formats like PDB, mmCIF/PDBx, or MMTF. This integration enables quick access to hundreds of thousands of molecular structures, saving users from having to manually download, upload, and convert files.
Bringing Everything Together
Once a file is loaded, you’ll find it displayed in the Document view and the viewport. From there, you can proceed with selection, visualization, editing, simulation, or sharing workflows. The accessibility and streamlined process make initiation into modeling seamless, especially for new users.
Learn More
Whether you’re fetching data, exploring settings, or managing documents, SAMSON ensures you have everything you need to simplify your molecular modeling workflows. For further details on loading molecules in SAMSON, visit the documentation page.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.