Visualizing molecular systems can be daunting, especially when dealing with complex structures. However, SAMSON’s “visual presets” feature offers a quick and effective way to streamline this process. Visual presets allow you to apply pre-defined or custom visual settings to molecular…

As a molecular modeler, you may often encounter situations where it becomes essential to optimize the geometry of a specific part of a molecule without altering the rest of the structure. In SAMSON, this can be achieved by freezing parts…

As a molecular modeler, building molecular structures can be one of the most rewarding yet challenging tasks. Whether you are constructing simple organic molecules or laying the foundation for larger, more complex systems, refining your workflow can make a significant…

In molecular modeling, exploring the effect of modifications to a molecule can be an intensive and time-consuming process. Whether you’re designing molecules for drug discovery or evaluating substituent effects, manually creating analogue series can slow down your workflow. The positional…

One of the recurring challenges molecular modelers face is effectively visualizing structural changes and transitions in their models. Whether you’re working on a dynamic molecular simulation or preparing a presentation for your research, being able to clearly and progressively reveal…

When diving into production Molecular Dynamics (MD) simulations, setting the right parameters can often feel overwhelming. Questions like “Should I adjust the integration time step?” or “Are my equilibration parameters correct?” might regularly haunt molecular modelers. But don’t worry, the…