Author: OneAngstrom

For molecular modelers, transitioning between states or exploring pathways can sometimes feel like maneuvering through a labyrinth without a map. This is where energy landscapes can make a tangible difference. With SAMSON’s Energy Landscape feature, users can gain a clear,…

One of the common challenges faced by molecular modelers is visualizing dense molecular structures. Proteins, for example, often create complex views when trying to focus on specific binding sites or interactions. Traditional clipping methods solve this to an extent, but…

When modeling molecular systems, properly orienting molecules is a crucial step when assembling membranes, solvent environments, or any molecular structure. Misaligned molecules can lead to inaccurate simulations or cause unnecessary frustration during construction. Thankfully, with the Molecular Box Builder in…

If you’re a molecular modeler, you’re likely familiar with the labor-intensive process of custom scripting for specialized tasks. Whether it’s manipulating structural models, performing complex calculations, or creating a tailored graphical interface, crafting Python scripts from scratch can quickly become…

In molecular modeling and simulations, understanding the global shape of molecular trajectories or pathways can be a crucial step in analyzing system behavior. While many researchers focus on compactness metrics like the radius of gyration, there’s another insightful descriptor worth…

If you are a molecular modeler, you’ve probably faced the challenge of setting up computations for various molecular states or systems. Doing this manually for each project can feel tedious and overwhelming. Thankfully, SAMSON’s GROMACS Wizard offers an efficient solution:…