A molecular modeling task rarely fits into one tool. You may need to import a structure, inspect it in a useful representation, modify it, run a calculation, and export the result. When one step is missing, it can be tempting to switch applications or rebuild part of the workflow elsewhere. In SAMSON, a useful first step is to check whether an extension can provide the capability you need.
SAMSON Extensions are modules that add functionality to SAMSON. They are available through SAMSON Connect, and the platform downloads a set of extensions by default the first time it starts. You can add more from the Marketplace as your work requires. Thinking in terms of the task you need to accomplish—not just the name of a tool—can make it easier to find the right kind of extension.
Match the extension to the job
Different extension families address different parts of a modeling workflow:
- Importers and exporters handle files coming into or leaving the document. If your obstacle is reading a particular kind of structure or saving content in a needed format, look for these categories.
- Editors provide interactive tools for working with documents. Examples include selection tools, a nanotube generator, and tools for deforming structures or applying rigid-body transforms.
- Visual models change how information appears in the viewport. Examples include secondary-structure representations, electron-density isosurfaces, and volume renderings of electrostatics fields.
- Interaction models compute energies and forces for modeling and simulation tasks. Examples in the documentation include spring, elastic network, and extended Hückel models.
- State updaters advance states during simulations; examples include minimization algorithms, Monte Carlo methods, and molecular dynamics algorithms.
- Apps can provide broader functionality, connect to an external executable or web service, or integrate previously developed code with SAMSON.
This distinction matters because the same user need can sound like “I need a new tool” while actually pointing to different parts of a workflow. A file-format problem suggests an importer or exporter; a way to manipulate a model interactively suggests an editor; a different representation suggests a visual model. Identifying the step that is blocked gives you a more focused way to search.
A practical way to find what you need
- Describe the bottleneck. Write down the specific action you cannot perform—for example, import a file, create or edit a structure, change its representation, or run a modeling task.
- Identify the likely extension family. Use the categories above to narrow the search. An extension can contain more than one type of component, so treat the categories as a guide rather than a strict boundary.
- Browse SAMSON Connect. Sign in to your account and visit the Marketplace to choose extensions. The Marketplace is also where you manage extensions and subscriptions.
- Start using the extension in SAMSON. Apps can be opened from Home > Apps or found using the Find everything search box. Editors are available in the left-side menu of the viewport.
- Revisit the workflow. Once the missing capability is available, consider whether another step—such as visualization or export—also has a suitable extension. This helps you plan a connected workflow instead of collecting tools without a clear purpose.
The same extension system can also help when the missing capability is something you or your team have already developed. The SAMSON SDK supports creating extensions such as apps, editors, force fields, and services, and provides code templates and features intended to support development. A developed extension can be distributed through SAMSON Connect; the documentation describes options to make it free or offer subscriptions, including different monthly and yearly tiers.
In short, extensions are a way to address a specific gap in a molecular modeling workflow: find the step that is slowing you down, identify the relevant extension type, and explore the Marketplace before moving the work elsewhere. To learn more about extension types, adding or developing extensions, and distribution, see the SAMSON Extensions documentation.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON.