Keep the molecule and its supporting files together

A molecular project rarely consists of a structure alone. You may also need scripts, images, research papers, data files, or folders that explain how you built or analyzed the model. When those materials live elsewhere on your computer, sharing the molecular document can leave collaborators searching for missing pieces—or leave you doing the same thing months later.

SAMSON documents can hold more than molecular models. They support Universal File Embedding, which lets you include files and folders inside a document. The result can be a self-contained project that is easier to transfer between computers and share.

Choose what belongs with the model

Before embedding anything, consider what someone would need to understand or continue your work. Depending on the project, that might include a Python script, an image, a research paper, relevant data, or an entire folder. Embedding is useful when these materials are part of the project rather than just temporary files on your machine.

This is especially helpful when a structure is only one part of the work. For example, a model may be accompanied by a script used in the workflow or by reference material that helps explain the choices behind it. Keeping those items in the same document makes the relationship between them easier to preserve when you share the project.

Embed files and folders

There are two ways to add supporting material:

  • Drag files or folders into SAMSON. When prompted, choose to embed them.
  • Use Home > Embed files or Home > Embed folders.

The embedding dialog is a useful visual reference for the process:

Embed file dialog in SAMSON

Once embedded, the files and folders are stored within the SAMSON document. That means they travel with the document when you transfer it to another computer or share it. It also gives you a practical way to keep related project material together instead of relying on a separate collection of paths and folders.

Keep the document itself in view

Loaded and created content is added to the active document. The Document view shows the data graph for that document, including information about atoms, bonds, molecules, models, simulators, and more. You can open it through Interface > Document view.

The Document view in SAMSON

SAMSON can have several documents open at once, but only one is active at a time. If you are preparing a project to share, check that you are adding supporting material to the intended active document. You can switch documents from the Documents list in the top-left corner of the menu, or via Home > Documents. To start a separate project, use Home > File > New.

A simple handoff routine

  1. Open or create the document that contains the molecular work.
  2. Identify the files and folders that someone else would need alongside the model.
  3. Embed them by dragging them into SAMSON or using the relevant Home menu command.
  4. Confirm that the intended document is active before adding more content.
  5. Share or transfer the document with the supporting material included.

This approach does not replace thoughtful project organization, but it can reduce a common source of friction: a structure arriving without the materials needed to interpret or continue the work. For details on loading structures, documents, and embedding, see the SAMSON documentation on loading molecules.

Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON.

Comments are closed.