When working on molecular models across different projects, teams, or institutions, it’s easy to lose track of the evolution of files, features, and visual results. A common pain shared by molecular modelers is wondering which version of a model was used in a rendering, saved in a publication, or submitted for computing on a remote cluster.
This is where understanding and using versioning in SAMSON becomes a practical and helpful approach. It allows users to avoid compatibility issues, trace results, and meaningfully collaborate with others.
What versioning means in SAMSON
SAMSON’s versioning system provides a reference to version numbers used by the platform and its extensions. This helps you ensure compatibility between SAMSON documents, apps, and different installations of SAMSON itself.
For example, you might be working with a collaborator who uses an extension you’ve never installed. Versioning ensures that when you exchange models or session files, SAMSON knows whether your setup supports the same features or not. Additionally, extensions may evolve over time: an editor from version 1.2 might behave differently compared to one from 2.0.
Why it matters for researchers and developers
Let’s say you wrote a molecular dynamics editor that relies on a specific structure of atom nodes, or you developed an app to automate mutations. Without standardized versioning, sharing your work becomes uncertain: others may encounter functionality inconsistencies, bugs, or even file corruption issues.
Instead, SAMSON saves version metadata as part of documents and extensions. This allows the software to detect conflicts and even offer recommendations, like updating the platform or installing a compatible version of an extension. If you’re a developer, this also means you can clearly track how your app evolves with the rest of the ecosystem.
Tracking versions in your workflow
In SAMSON, documents include version tags. When loading documents, SAMSON checks compatibility. If discrepancies are found, you’ll receive warnings, helping to avoid cryptic errors or silent issues.
Additionally, by keeping an eye on SAMSON’s release notes (linked in the versioning reference), modelers can quickly identify when key features are added or deprecated. This is especially important when scripting, automating selections, or using external pipelines that interact with SAMSON documents.
Best practices
- Before sharing a SAMSON document (.samx), include a note of the SAMSON version used.
- Check extension versions regularly. Many are updated independently of the core system.
- Use version tagging in filenames (e.g.,
binding_analysis_v1.3.samx) to track changes. - For reproducibility in publications, mention versions of both SAMSON and the relevant extensions.
Want to learn more?
For a detailed explanation of how versioning is handled in SAMSON, visit the official documentation page on versioning.
To explore further documentation topics, check the full reference list here: https://documentation.samson-connect.net/users/latest/references/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.