Author: OneAngstrom

Molecular modelers often find themselves juggling multiple representations of structures: sequences, 3D models, and properties. Keeping these elements in sync can be challenging, especially when working on complex biomolecules with multiple chains. This is where SAMSON’s Sequence View can save…

For molecular modelers aiming to achieve accurate results in docking, molecular dynamics, or binding-energy calculations, ensuring the validity of your protein structure is an essential first step. Protein preparation and validation are often overlooked but can make or break downstream…

Running large molecular simulations can often push the limits of local hardware. If you’re working with large systems or computationally heavy tasks, cloud computing offers a flexible and scalable solution to overcome these hardware restrictions. SAMSON, an integrative molecular design…

Molecular modelers often work with intricate structural details that require precision and clarity. One common challenge is tracking torsion angles in molecular systems, especially when studying rotamers, backbone motions, or other collective twisting behaviors. If you’ve struggled with effectively analyzing…

Molecular modelers who are eager to get started with SAMSON often face a few questions when it comes to installation. To help streamline the process and avoid pitfalls, we’ve compiled insights from the documentation to ensure you’re up and running…

When setting up molecular dynamics simulations, one challenge that molecular modelers often face is choosing the correct shape for their simulation box—or unit cell. The shape of the unit cell does more than define the boundaries of the simulation; it…

For molecular modelers, exploring trajectories or cycling through molecular conformations can be essential for understanding critical mechanisms. Whether you’re visualizing molecular dynamics simulations or tracing structural transformations, SAMSON’s Play reverse path animation can be an invaluable tool for these tasks.…

As a molecular modeler, you’ve likely encountered the challenge of selecting exactly what you need in a large, complex molecular structure. Whether you’re analyzing a specific residue, a set of atoms, or grouping structural elements, selecting the right components accurately…

Atom selection and editing are fundamental tasks for molecular modelers. Whether you’re designing nanoscale structures or analyzing molecular interactions, being able to pinpoint and modify specific atoms can greatly enhance your workflow. SAMSON's Simple Script Extension offers a powerful and…